1,2-Oxazol-3-ylmethanol - CAS 89102-73-8

Catalog:	BB039347
Product Name:	1,2-Oxazol-3-ylmethanol
CAS:	89102-73-8
Synonyms:	3-isoxazolylmethanol; 1,2-oxazol-3-ylmethanol

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Computed Properties

IUPAC Name:	1,2-oxazol-3-ylmethanol
Description:	1,2-Oxazol-3-ylmethanol (CAS# 89102-73-8) is a useful research chemical.
Molecular Weight:	99.09
Molecular Formula:	C4H5NO2
Canonical SMILES:	C1=CON=C1CO
InChI:	InChI=1S/C4H5NO2/c6-3-4-1-2-7-5-4/h1-2,6H,3H2
InChI Key:	GBCAGXLDCTZCCT-UHFFFAOYSA-N
Boiling Point:	239.999 °C at 760 mmHg
Density:	1.25 g/cm³
Appearance:	Liquid
LogP:	0.16690

Publication Number	Title	Priority Date
CN-113512720-A	Copper precipitation pretreatment liquid and pretreatment method thereof	20210705
CN-113473985-A	Cyclopentanoic acid as LPA antagonist	20180918
KR-20210061383-A	Cyclopentyl acid as an LPA antagonist	20180918
WO-2019196918-A1	Five-membered heterocyclo-pyrimidine compound, pharmaceutical composition and use thereof	20180413
WO-2019161010-A1	Inhibitors of trpc6	20180216

PMID	Publication Date	Title	Journal
19770002	20100101	Preclinical and clinical pharmacology of the GABAA receptor alpha5 subtype-selective inverse agonist alpha5IA	Pharmacology & therapeutics
18482097	20080101	GABA(A) receptor subtype-selective efficacy: TPA023, an alpha2/alpha3 selective non-sedating anxiolytic and alpha5IA, an alpha5 selective cognition enhancer	CNS neuroscience & therapeutics

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	57.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	99.032028402
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	99.032028402
Rotatable Bond Count:	1
Topological Polar Surface Area:	46.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.5