Isoxazole-4-methanol - CAS 102790-36-3

Catalog:	BB000948
Product Name:	Isoxazole-4-methanol
CAS:	102790-36-3
Synonyms:	4-isoxazolylmethanol; 1,2-oxazol-4-ylmethanol

Technical Data

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Computed Properties

IUPAC Name:	1,2-oxazol-4-ylmethanol
Description:	Isoxazole-4-methanol (CAS# 102790-36-3) is a useful research chemical.
Molecular Weight:	99.09
Molecular Formula:	C4H5NO2
Canonical SMILES:	C1=C(C=NO1)CO
InChI:	InChI=1S/C4H5NO2/c6-2-4-1-5-7-3-4/h1,3,6H,2H2
InChI Key:	YUXAURUEOIQGKA-UHFFFAOYSA-N
Boiling Point:	212.785 °C at 760 mmHg
Density:	1.25 g/cm³
Appearance:	Colorless to yellow liquid
LogP:	0.16690

Publication Number	Title	Priority Date
AU-2018330633-A1	1-(4-(isoxazol-5-YL)-1H-pyrazol-1-YL)-2-methylpropan-2-OL derivatives and related compounds as IL-17 and IFN-gamma inhibitors for treating autoimmune diseases and chronic inflammation	20170906
CA-3074891-A1	1-(4-(isoxazol-5-yl)-1h-pyrazol-1-yl)-2-methylpropan-2-ol derivatives and related compounds as il-17 and ifn-gamma inhibitors for treating autoimmune diseases and chronic inflammation	20170906
IL-273064-D0	Derivatives 1- (4- (isoxazol-5-il) - h1-pyrazol-1-il) -2-methylpropan-2-ol and related compounds as IL-17 and ifn-gamma suppressors for the treatment of autoimmune diseases and chronic inflammation	20170906
WO-2019048541-A1	1- (4- (ISOXAZOL-5-YL) -1H-PYRAZOL-1-YL) -2-METHYLPROPAN-2-OL DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF IL-17 AND IFN- GAMMA FOR THE TREATMENT OF AUTOIMMUNE DISEASES AND CHRONIC INFLAMMATION	20170906
BR-112020004332-A2	1- (4-isoxazol-5-yl) -1h-pyrazol-1-yl) -2-methylpropan-2-ol derivatives and related compounds as inhibitors of il-17 and ifn-gamma for the treatment of autoimmune diseases and chronic inflammation	20170906

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, 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