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127428-68-6 | Oxazole, 4,5-dihydro-2-(2-methoxyphenyl)-4-phenyl-
CAS No: 127428-68-6 Catalog No: AG000X2J MDL No:
Product Description
Catalog Number:
AG000X2J
Chemical Name:
Oxazole, 4,5-dihydro-2-(2-methoxyphenyl)-4-phenyl-
CAS Number:
127428-68-6
Molecular Formula:
C16H15NO2
Molecular Weight:
253.2958
IUPAC Name:
2-(2-methoxyphenyl)-4-phenyl-4,5-dihydro-1,3-oxazole
InChI:
InChI=1S/C16H15NO2/c1-18-15-10-6-5-9-13(15)16-17-14(11-19-16)12-7-3-2-4-8-12/h2-10,14H,11H2,1H3
InChI Key:
JEISZCMGVRLHJA-UHFFFAOYSA-N
SMILES:
COc1ccccc1C1=NC(CO1)c1ccccc1
Properties
Complexity:
323
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:
3.1
Literature
| Title | Journal |
|---|---|
| Estimation of the hydrophobicity of 2,4-diphenyl-1,3-oxazoline analogs and QSAR analysis of their ovicidal activity against Tetranychus [corrected] urticae. | Bioorganic & medicinal chemistry letters 20060801 |
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