5-Phenylisoxazol-3-amine - CAS 6455-31-8

Catalog:	BB032501
Product Name:	5-Phenylisoxazol-3-amine
CAS:	6455-31-8
Synonyms:	5-phenyl-1,2-oxazol-3-amine

Technical Data

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Computed Properties

IUPAC Name:	5-phenyl-1,2-oxazol-3-amine
Description:	5-Phenylisoxazol-3-amine (CAS# 6455-31-8) is a useful research chemical.
Molecular Weight:	160.17
Molecular Formula:	C9H8N2O
Canonical SMILES:	C1=CC=C(C=C1)C2=CC(=NO2)N
InChI:	InChI=1S/C9H8N2O/c10-9-6-8(12-11-9)7-4-2-1-3-5-7/h1-6H,(H2,10,11)
InChI Key:	YZEWHEPWBIADPY-UHFFFAOYSA-N
LogP:	1.85390

Publication Number	Title	Priority Date
WO-2021183439-A1	Substituted furo[3,2-d]pyrimidines and uses thereof	20200309
WO-2020002587-A1	Compounds	20180628
AU-2019294533-A1	Compounds	20180628
TW-202012379-A	Chemical compound	20180628
EP-3813813-A1	Compounds	20180628

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Related Functional Groups

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[326829-08-7]
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[40279-32-1]
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[100189-59-1]
Ethyl 5-(2-pyridyl)-4,5-dihydroisoxazole-3-carboxylate

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P280, P301+P312, P302+P352, P305+P351+P338, P321, P330, P332+P313, P337+P313, P362, and P501
Signal Word:	Warning

Complexity:	146
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	160.063662883
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	160.063662883
Rotatable Bond Count:	1
Topological Polar Surface Area:	52 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2