2-Amino-5-(4-methoxyphenyl)-1,3,4-oxadiazole - CAS 5711-61-5

Catalog:	BB029585
Product Name:	2-Amino-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CAS:	5711-61-5
Synonyms:	5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine

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Computed Properties

IUPAC Name:	5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine
Description:	2-Amino-5-(4-methoxyphenyl)-1,3,4-oxadiazole (CAS# 5711-61-5) is a useful research chemical.
Molecular Weight:	191.19
Molecular Formula:	C9H9N3O2
Canonical SMILES:	COC1=CC=C(C=C1)C2=NN=C(O2)N
InChI:	InChI=1S/C9H9N3O2/c1-13-7-4-2-6(3-5-7)8-11-12-9(10)14-8/h2-5H,1H3,(H2,10,12)
InChI Key:	IEJVXWOVBNWQCY-UHFFFAOYSA-N
Boiling Point:	368 °C at 760 mmHg
Density:	1.272 g/cm³
MDL:	MFCD00457972
LogP:	1.90860

Publication Number	Title	Priority Date
CN-110627783-A	Preparation method of Schiff base containing carbazolyl and oxadiazolyl or thiadiazolyl	20191023
WO-2020196327-A1	Production method of quinolinecarboxamide derivative or production intermediate thereof	20190322
TW-202102477-A	Quinoline Carboxamide Derivatives and Manufacturing Methods of Manufacturing Intermediates	20190322
JP-2020158500-A	Method for producing 1,3,4-oxa (thia) diazole-2-amine derivative	20190322
CN-107602549-A	A kind of carbazolyl-containing Sai/oxadiazolyl Mannich bases and preparation method thereof	20171019

PMID	Publication Date	Title	Journal
21580509	20100317	Bis{N-[5-(4-methoxy-phen-yl)-1,3,4-oxa-diazol-2-yl]ethanimidamidato}copper(II)	Acta crystallographica. Section E, Structure reports online

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Related Functional Groups

Oxadiazole/Thiadiazole

[1170931-46-0]
Ethyl 3-((3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl)-1,2,4-oxadiazole-5-carboxylate
[1170802-11-5]
Ethyl 3-((4-chloro-1H-pyrazol-1-yl)methyl)-1,2,4-oxadiazole-5-carboxylate
[956263-70-0]
Ethyl 3-((4-Iodo-1H-Pyrazol-1-Yl)Methyl)-1,2,4-Oxadiazole-5-Carboxylate
[1170088-37-5]
Ethyl 3-(2-(1H-pyrazol-1-yl)propyl)-1,2,4-oxadiazole-5-carboxylate
[1171327-12-0]
Ethyl 3-(2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl)-1,2,4-oxadiazole-5-carboxylate
[1172750-87-6]
Ethyl 3-(2-(5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)ethyl)-1,2,4-oxadiazole-5-carboxylate

GHS Hazard Statement:	H302 (100%): 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

Complexity:	183
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	191.069476538
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	191.069476538
Rotatable Bond Count:	2
Topological Polar Surface Area:	74.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1