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1617-94-3 | N-Phenyl-5-(pyridin-4-yl)-1,3,4-oxadiazol-2-amine
CAS No: 1617-94-3 Catalog No: AG01F9CV MDL No:
Product Description
Catalog Number:
AG01F9CV
Chemical Name:
N-Phenyl-5-(pyridin-4-yl)-1,3,4-oxadiazol-2-amine
CAS Number:
1617-94-3
Molecular Formula:
C13H10N4O
Molecular Weight:
238.2447
IUPAC Name:
N-phenyl-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine
InChI:
InChI=1S/C13H10N4O/c1-2-4-11(5-3-1)15-13-17-16-12(18-13)10-6-8-14-9-7-10/h1-9H,(H,15,17)
InChI Key:
KOQHHVPFQWLIRA-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)Nc1nnc(o1)c1ccncc1
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.085g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
238.25g/mol
Monoisotopic Mass:
238.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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