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Home Other Building Blocks 5-METHYL-3-PHENYL-4-ISOXAZOLAMINE

5-METHYL-3-PHENYL-4-ISOXAZOLAMINE

CAS No.:
21169-65-3
Catalog Number:
AG00BCPZ
Molecular Formula:
C10H10N2O
Molecular Weight:
174.1992
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Product Description
Catalog Number:
AG00BCPZ
Chemical Name:
5-METHYL-3-PHENYL-4-ISOXAZOLAMINE
CAS Number:
21169-65-3
Molecular Formula:
C10H10N2O
Molecular Weight:
174.1992
MDL Number:
MFCD02677726
IUPAC Name:
5-methyl-3-phenyl-1,2-oxazol-4-amine
InChI:
InChI=1S/C10H10N2O/c1-7-9(11)10(12-13-7)8-5-3-2-4-6-8/h2-6H,11H2,1H3
InChI Key:
QWMOVJWPTZATFS-UHFFFAOYSA-N
SMILES:
Cc1onc(c1N)c1ccccc1
Properties
Complexity:
168  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.079g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
174.203g/mol
Monoisotopic Mass:
174.079g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Literature
Title Journal
Novel bioactivation mechanism of reactive metabolite formation from phenyl methyl-isoxazoles. Drug metabolism and disposition: the biological fate of chemicals 20121101
Properties