(3-Ethyl-5-isoxazolyl)methanol - CAS 14716-90-6

Catalog:	BB010172
Product Name:	(3-Ethyl-5-isoxazolyl)methanol
CAS:	14716-90-6
Synonyms:	(3-ethyl-1,2-oxazol-5-yl)methanol

Technical Data

Patents

Computed Properties

IUPAC Name:	(3-ethyl-1,2-oxazol-5-yl)methanol
Description:	(3-Ethyl-5-isoxazolyl)methanol (CAS# 14716-90-6) is a useful research chemical.
Molecular Weight:	127.14
Molecular Formula:	C6H9NO2
Canonical SMILES:	CCC1=NOC(=C1)CO
InChI:	InChI=1S/C6H9NO2/c1-2-5-3-6(4-8)9-7-5/h3,8H,2,4H2,1H3
InChI Key:	PUWYXPHAQNCKLQ-UHFFFAOYSA-N
Boiling Point:	253.5 °C at 760 mmHg
Density:	1.134 g/cm³
MDL:	MFCD11048458
LogP:	0.72930

Publication Number	Title	Priority Date
JP-2021506775-A	Combination therapy with administration of 1H-pyrazolo [4,3-B] pyridine	20171214
JP-2021506780-A	Combination therapy with administration of 1H-pyrazolo [4,3-B] pyridine	20171214
JP-2019524689-A	1H-pyrazolo [4,3-b] pyridine as a PDE1 inhibitor	20160704
US-2015166569-A1	Tricyclic compounds and methods of use therefor	20120217
US-2015374705-A1	Substances for treatment or relief of pain	20120214

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Related Functional Groups

Isoxazoles

[1011398-65-4]
6-(4-(Difluoromethoxy)phenyl)-3-methylisoxazolo[5,4-b]pyridine-4-carboxylic acid
[618383-47-4]
3-(4-Methoxyphenyl)isoxazole-5-carboxylic acid
[1356543-58-2]
Ethyl 3-(1-methyl-1H-pyrazol-4-yl)-1,2-oxazole-5-carboxylate
[383146-88-1]
Ethyl 4-methyl-2-(pyridin-2-yl)thiazole-5-carboxylate
[100189-59-1]
Ethyl 5-(2-pyridyl)-4,5-dihydroisoxazole-3-carboxylate
[625120-13-0]
Ethyl 5-(trifluoromethyl)isoxazole-3-carboxylate

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Complexity:	87.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	127.06332853
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	127.06332853
Rotatable Bond Count:	2
Topological Polar Surface Area:	46.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.4