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96753-33-2 | 5-(4-Methoxyphenyl)-2-(pyridin-4-yl)oxazole
CAS No: 96753-33-2 Catalog No: AG00666W MDL No:
Product Description
Catalog Number:
AG00666W
Chemical Name:
5-(4-Methoxyphenyl)-2-(pyridin-4-yl)oxazole
CAS Number:
96753-33-2
Molecular Formula:
C15H12N2O2
Molecular Weight:
252.2680
IUPAC Name:
5-(4-methoxyphenyl)-2-pyridin-4-yl-1,3-oxazole
InChI:
InChI=1S/C15H12N2O2/c1-18-13-4-2-11(3-5-13)14-10-17-15(19-14)12-6-8-16-9-7-12/h2-10H,1H3
InChI Key:
OKPGMAGRTBRFMP-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1cnc(o1)c1ccncc1
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.09g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.273g/mol
Monoisotopic Mass:
252.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
48.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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