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830343-83-4 | 5-METHYL-N-(PYRIDIN-2-YLMETHYL)-3-ISOXAZOLECARBOXAMIDE
CAS No: 830343-83-4 Catalog No: AG004XUI MDL No:MFCD07182788
Product Description
Catalog Number:
AG004XUI
Chemical Name:
5-METHYL-N-(PYRIDIN-2-YLMETHYL)-3-ISOXAZOLECARBOXAMIDE
CAS Number:
830343-83-4
Molecular Formula:
C11H11N3O2
Molecular Weight:
217.2239
MDL Number:
MFCD07182788
IUPAC Name:
5-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-3-carboxamide
InChI:
InChI=1S/C11H11N3O2/c1-8-6-10(14-16-8)11(15)13-7-9-4-2-3-5-12-9/h2-6H,7H2,1H3,(H,13,15)
InChI Key:
FCXGWHBLKMBORH-UHFFFAOYSA-N
SMILES:
Cc1onc(c1)C(=O)NCc1ccccn1
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.085g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
217.228g/mol
Monoisotopic Mass:
217.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
68A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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