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159222-58-9 | Benzenamine, 2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-
CAS No: 159222-58-9 Catalog No: AG001QJO MDL No:MFCD00052880
Product Description
Catalog Number:
AG001QJO
Chemical Name:
Benzenamine, 2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-
CAS Number:
159222-58-9
Molecular Formula:
C15H13N3O2
Molecular Weight:
267.2826
MDL Number:
MFCD00052880
IUPAC Name:
2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]aniline
InChI:
InChI=1S/C15H13N3O2/c1-19-11-6-4-5-10(9-11)14-17-18-15(20-14)12-7-2-3-8-13(12)16/h2-9H,16H2,1H3
InChI Key:
NYEKSAGNQLAWQF-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)c1nnc(o1)c1ccccc1N
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.101g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
267.288g/mol
Monoisotopic Mass:
267.101g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
74.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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