5-Isopropyl-1,3,4-oxadiazol-2-amine - CAS 65283-97-8

Name: 5-Isopropyl-1,3,4-oxadiazol-2-amine
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB032688
Product Name:	5-Isopropyl-1,3,4-oxadiazol-2-amine
CAS:	65283-97-8
Synonyms:	5-propan-2-yl-1,3,4-oxadiazol-2-amine

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	5-propan-2-yl-1,3,4-oxadiazol-2-amine
Description:	5-Isopropyl-1,3,4-oxadiazol-2-amine (CAS# 65283-97-8) is a useful research chemical compound.
Molecular Weight:	127.14
Molecular Formula:	C5H9N3O
Canonical SMILES:	CC(C)C1=NN=C(O1)N
InChI:	InChI=1S/C5H9N3O/c1-3(2)4-7-8-5(6)9-4/h3H,1-2H3,(H2,6,8)
InChI Key:	IIOLDHZNWWMEHN-UHFFFAOYSA-N
Boiling Point:	236.41 °C at 760 mmHg
Density:	1.145 g/cm³
MDL:	MFCD09042012
LogP:	1.35640

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Related Functional Groups

Oxadiazole/Thiadiazole

[1170977-40-8]C14H15F3N4O3
Ethyl 3-(2-(3-cyclopropyl-5-(trifluoromethyl)pyrazol-1-yl)ethyl)-1,2,4-oxadiazole-5-carboxylate
[1018125-37-5]C11H9FN2O3
Ethyl 3-(2-fluorophenyl)-1,2,4-oxadiazole-5-carboxylate
[697245-66-2]C13H14N2O5
Ethyl 3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole-5-carboxylate
[956729-63-8]C9H9N5O5
Ethyl 3-[(3-nitro-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxylate
[956264-16-7]C9H9BrN4O3
Ethyl 3-[(4-bromopyrazolyl)methyl]-1,2,4-oxadiazole-5-carboxylate
[880361-90-0]C10H11N3O
Methyl-(5-phenyl-[1,3,4]oxadiazol-2-ylmethyl)-amine

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

Publication Number	Title	Priority Date
TW-201927778-A	Cyclohexyl acid triazoles as LPA antagonists	20171219
BR-112020012177-A2	triazole azoles of cyclohexylic acid as lpa antagonists	20171219
CN-111712492-A	Cyclohexaneacetic acid triazolazoles as LPA antagonists	20171219
KR-20200100713-A	Cyclohexyl acid triazole azole as an LPA antagonist	20171219
JP-2021507900-A	Triazole cyclohexylate as an LPA antagonist	20171219

Complexity:	96.2
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	127.074561919
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	127.074561919
Rotatable Bond Count:	1
Topological Polar Surface Area:	64.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.2