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328548-33-0 | 4-[(3-methyl-2-thienyl)methylidene]-2-phenyl-4,5-dihydro-1,3-oxazol-5-one
CAS No: 328548-33-0 Catalog No: AG01D4WV MDL No:MFCD00180408
Product Description
Catalog Number:
AG01D4WV
Chemical Name:
4-[(3-methyl-2-thienyl)methylidene]-2-phenyl-4,5-dihydro-1,3-oxazol-5-one
CAS Number:
328548-33-0
Molecular Formula:
C15H11NO2S
Molecular Weight:
269.3183
MDL Number:
MFCD00180408
IUPAC Name:
4-[(3-methylthiophen-2-yl)methylidene]-2-phenyl-1,3-oxazol-5-one
InChI:
InChI=1S/C15H11NO2S/c1-10-7-8-19-13(10)9-12-15(17)18-14(16-12)11-5-3-2-4-6-11/h2-9H,1H3
InChI Key:
PPYOBDFPZZTWDP-UHFFFAOYSA-N
SMILES:
O=C1OC(=N/C/1=C/c1sccc1C)c1ccccc1
Properties
Complexity:
424
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.051g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.318g/mol
Monoisotopic Mass:
269.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.6
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