(2E)-2-benzylidene-4-phenyl-1,3-oxazol-5-one

C16H11NO2 — CID 851756

IUPAC(2E)-2-benzylidene-4-phenyl-1,3-oxazol-5-one
SMILESO=C1O/C(=C/c2ccccc2)N=C1c1ccccc1
InChIInChI=1S/C16H11NO2/c18-16-15(13-9-5-2-6-10-13)17-14(19-16)11-12-7-3-1-4-8-12/h1-11H/b14-11+
InChIKeyLDVFFQFWQPYFSE-SDNWHVSQSA-N
MW249.27 g/mol
LogP3.03
Rot. Bonds2

About (2E)-2-benzylidene-4-phenyl-1,3-oxazol-5-one

(2E)-2-benzylidene-4-phenyl-1,3-oxazol-5-one (PubChem CID 851756) has the molecular formula C16H11NO2 and a molecular weight of 249.27 g/mol. Its IUPAC name is (2E)-2-benzylidene-4-phenyl-1,3-oxazol-5-one.

Molecular Properties

Compound Name(2E)-2-benzylidene-4-phenyl-1,3-oxazol-5-one
PubChem CID851756
Molecular FormulaC16H11NO2
Molecular Weight249.27 g/mol
Exact Mass249.08
IUPAC Name(2E)-2-benzylidene-4-phenyl-1,3-oxazol-5-one
SMILESO=C1O/C(=C/c2ccccc2)N=C1c1ccccc1
InChIInChI=1S/C16H11NO2/c18-16-15(13-9-5-2-6-10-13)17-14(19-16)11-12-7-3-1-4-8-12/h1-11H/b14-11+
InChIKeyLDVFFQFWQPYFSE-SDNWHVSQSA-N
XLogP3.03
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-benzylidene-4-phenyl-1,3-oxazol-5-one?
The IUPAC name of (2E)-2-benzylidene-4-phenyl-1,3-oxazol-5-one (CID 851756) is (2E)-2-benzylidene-4-phenyl-1,3-oxazol-5-one.
What is the SMILES notation for (2E)-2-benzylidene-4-phenyl-1,3-oxazol-5-one?
The canonical SMILES for (2E)-2-benzylidene-4-phenyl-1,3-oxazol-5-one is O=C1O/C(=C/c2ccccc2)N=C1c1ccccc1.
What is the InChIKey of (2E)-2-benzylidene-4-phenyl-1,3-oxazol-5-one?
The InChIKey is LDVFFQFWQPYFSE-SDNWHVSQSA-N. The full InChI is InChI=1S/C16H11NO2/c18-16-15(13-9-5-2-6-10-13)17-14(19-16)11-12-7-3-1-4-8-12/h1-11H/b14-11+.
What are the key properties of (2E)-2-benzylidene-4-phenyl-1,3-oxazol-5-one?
(2E)-2-benzylidene-4-phenyl-1,3-oxazol-5-one has a molecular weight of 249.27 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-benzylidene-4-phenyl-1,3-oxazol-5-one is sourced from PubChem (CID 851756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).