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25205-87-2 | Oxazole, 2-(4-methoxyphenyl)-4-phenyl-
CAS No: 25205-87-2 Catalog No: AG002QXB MDL No:
Product Description
Catalog Number:
AG002QXB
Chemical Name:
Oxazole, 2-(4-methoxyphenyl)-4-phenyl-
CAS Number:
25205-87-2
Molecular Formula:
C16H13NO2
Molecular Weight:
251.2799
IUPAC Name:
2-(4-methoxyphenyl)-4-phenyl-1,3-oxazole
InChI:
InChI=1S/C16H13NO2/c1-18-14-9-7-13(8-10-14)16-17-15(11-19-16)12-5-3-2-4-6-12/h2-11H,1H3
InChI Key:
URUNBNWRURCBSS-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1occ(n1)c1ccccc1
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.095g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.285g/mol
Monoisotopic Mass:
251.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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