2-Amino-5-phenyl-1,3,4-oxadiazole - CAS 1612-76-6

Name: 2-Amino-5-phenyl-1,3,4-oxadiazole
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB011721
Product Name:	2-Amino-5-phenyl-1,3,4-oxadiazole
CAS:	1612-76-6
Synonyms:	5-phenyl-1,3,4-oxadiazol-2-amine

Technical Data

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Computed Properties

IUPAC Name:	5-phenyl-1,3,4-oxadiazol-2-amine
Description:	5-Phenyl-1,3,4-oxadiazol-2-amine can be used as a pH indicator in the acidic range in living cells due to the fluorescence the compound gives off when in an acidic environment.
Molecular Weight:	161.16
Molecular Formula:	C8H7N3O
Canonical SMILES:	C1=CC=C(C=C1)C2=NN=C(O2)N
InChI:	InChI=1S/C8H7N3O/c9-8-11-10-7(12-8)6-4-2-1-3-5-6/h1-5H,(H2,9,11)
InChI Key:	CQSFYCBGVMWPCM-UHFFFAOYSA-N
Boiling Point:	332.3 °C at 760 mmHg
Density:	1.276 g/cm³
MDL:	MFCD00126383
LogP:	1.90000

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Related Functional Groups

Oxadiazole/Thiadiazole

[1171337-26-0]C11H13ClN4O3
Ethyl 3-(1-(4-chloro-1H-pyrazol-1-yl)propan-2-yl)-1,2,4-oxadiazole-5-carboxylate
[1170042-55-3]C12H16N4O3
Ethyl 3-(1-(4-methyl-1H-pyrazol-1-yl)propan-2-yl)-1,2,4-oxadiazole-5-carboxylate
[1170977-40-8]C14H15F3N4O3
Ethyl 3-(2-(3-cyclopropyl-5-(trifluoromethyl)pyrazol-1-yl)ethyl)-1,2,4-oxadiazole-5-carboxylate
[1172750-87-6]C14H15F3N4O3
Ethyl 3-(2-(5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)ethyl)-1,2,4-oxadiazole-5-carboxylate
[1018125-37-5]C11H9FN2O3
Ethyl 3-(2-fluorophenyl)-1,2,4-oxadiazole-5-carboxylate
[91393-16-7]C12H12N2O3
Ethyl 3-(4-methylphenyl)-1,2,4-oxadiazole-5-carboxylate

GHS Hazard Statement:	H302 (97.56%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
CN-110759955-A	Preparation method of Mannich base containing ferrocenyl thiadiazole or oxadiazolyl	20191119
CN-110878106-A	Preparation method of Mannich base containing ferrocenyl thiadiazole or oxadiazolyl	20191119
CN-110627783-A	Preparation method of Schiff base containing carbazolyl and oxadiazolyl or thiadiazolyl	20191023
WO-2020219792-A1	Cf3-, ocf3-, scf3- and sf5-containing antibacterial agents	20190426
WO-2020196327-A1	Production method of quinolinecarboxamide derivative or production intermediate thereof	20190322

PMID	Publication Date	Title	Journal
23125818	20121001	5-Phenyl-1,3,4-oxadiazol-2-amine	Acta crystallographica. Section E, Structure reports online
22590086	20120501	Tetra-kis[μ(3)-4-nitro-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamidato]tetra-kis-[methano-lsodium(I)]	Acta crystallographica. Section E, Structure reports online

Complexity:	147
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	161.058911855
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	161.058911855
Rotatable Bond Count:	1
Topological Polar Surface Area:	64.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7