3-Methyl-5-phenylisoxazole - CAS 1008-75-9

Catalog:	BB000376
Product Name:	3-Methyl-5-phenylisoxazole
CAS:	1008-75-9
Synonyms:	3-methyl-5-phenyl-1,2-oxazole

Technical Data

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Computed Properties

IUPAC Name:	3-methyl-5-phenyl-1,2-oxazole
Description:	3-Methyl-5-phenylisoxazole can be used for Aminopeptidase A inhibitors.
Molecular Weight:	159.18
Molecular Formula:	C10H9NO
Canonical SMILES:	CC1=NOC(=C1)C2=CC=CC=C2
InChI:	InChI=1S/C10H9NO/c1-8-7-10(12-11-8)9-5-3-2-4-6-9/h2-7H,1H3
InChI Key:	FBYQIYSAUFWXQK-UHFFFAOYSA-N
Boiling Point:	262-264 °C / 760 mmHg
Melting Point:	63-68 °C
Purity:	95 %
Density:	1.082 g/cm³
Appearance:	White to tan solid
MDL:	MFCD00020810
LogP:	2.65000

Publication Number	Title	Priority Date
WO-2021073643-A1	Drug for treating non-alcoholic steatohepatitis	20191018
CN-110483430-A	A kind of preparation method of Isoxazole derivative	20190814
RU-2711558-C1	Method of producing halogen derivatives of aromatic and heteroaromatic compounds	20190325
KR-20210079336-A	Aminopeptidase A inhibitor and pharmaceutical composition comprising same	20181026
US-2021309678-A1	Aminopeptidase a inhibitors and pharmaceutical compositions comprising the same	20181026

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Related Functional Groups

Isoxazoles

[1018168-48-3]
2-[(5-Methyl-1,2-oxazol-3-yl)methoxy]acetic acid
[1011398-65-4]
6-(4-(Difluoromethoxy)phenyl)-3-methylisoxazolo[5,4-b]pyridine-4-carboxylic acid
[473253-40-6]
3-(4-Methoxyphenyl)-4,5-dihydroisoxazole-5-carboxylic acid
[861433-83-2]
5-(3,4-Dichlorophenyl)isoxazole-3-carbonyl chloride
[1039833-39-0]
3-Cyclobutylisoxazol-5-amine
[126085-91-4]
Ethyl-5-(tributylstannyl)isoxazole-3-carboxylate

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P312, P330, and P501
Signal Word:	Warning

Complexity:	143
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	159.068413911
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	159.068413911
Rotatable Bond Count:	1
Topological Polar Surface Area:	26 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4