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112725-02-7 | Oxazole, 4,5-dihydro-5-(4-methoxyphenyl)-2-phenyl-
CAS No: 112725-02-7 Catalog No: AG0081VN MDL No:
Product Description
Catalog Number:
AG0081VN
Chemical Name:
Oxazole, 4,5-dihydro-5-(4-methoxyphenyl)-2-phenyl-
CAS Number:
112725-02-7
Molecular Formula:
C16H15NO2
Molecular Weight:
253.2958
IUPAC Name:
5-(4-methoxyphenyl)-2-phenyl-4,5-dihydro-1,3-oxazole
InChI:
InChI=1S/C16H15NO2/c1-18-14-9-7-12(8-10-14)15-11-17-16(19-15)13-5-3-2-4-6-13/h2-10,15H,11H2,1H3
InChI Key:
RMDZEGDOFYXILO-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C1CN=C(O1)c1ccccc1
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.11g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.301g/mol
Monoisotopic Mass:
253.11g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
30.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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