(4Z)-4-benzylidene-3-phenyl-1,3-oxazolidin-2-one

C16H13NO2 — CID 135037449

IUPAC(4Z)-4-benzylidene-3-phenyl-1,3-oxazolidin-2-one
SMILESO=C1OC/C(=C/c2ccccc2)N1c1ccccc1
InChIInChI=1S/C16H13NO2/c18-16-17(14-9-5-2-6-10-14)15(12-19-16)11-13-7-3-1-4-8-13/h1-11H,12H2/b15-11-
InChIKeyUZEZFZALHFNBEY-PTNGSMBKSA-N
MW251.29 g/mol
LogP3.68
Rot. Bonds2

About (4Z)-4-benzylidene-3-phenyl-1,3-oxazolidin-2-one

(4Z)-4-benzylidene-3-phenyl-1,3-oxazolidin-2-one (PubChem CID 135037449) has the molecular formula C16H13NO2 and a molecular weight of 251.29 g/mol. Its IUPAC name is (4Z)-4-benzylidene-3-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4Z)-4-benzylidene-3-phenyl-1,3-oxazolidin-2-one
PubChem CID135037449
Molecular FormulaC16H13NO2
Molecular Weight251.29 g/mol
Exact Mass251.09
IUPAC Name(4Z)-4-benzylidene-3-phenyl-1,3-oxazolidin-2-one
SMILESO=C1OC/C(=C/c2ccccc2)N1c1ccccc1
InChIInChI=1S/C16H13NO2/c18-16-17(14-9-5-2-6-10-14)15(12-19-16)11-13-7-3-1-4-8-13/h1-11H,12H2/b15-11-
InChIKeyUZEZFZALHFNBEY-PTNGSMBKSA-N
XLogP3.68
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4Z)-4-benzylidene-3-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4Z)-4-benzylidene-3-phenyl-1,3-oxazolidin-2-one (CID 135037449) is (4Z)-4-benzylidene-3-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4Z)-4-benzylidene-3-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4Z)-4-benzylidene-3-phenyl-1,3-oxazolidin-2-one is O=C1OC/C(=C/c2ccccc2)N1c1ccccc1.
What is the InChIKey of (4Z)-4-benzylidene-3-phenyl-1,3-oxazolidin-2-one?
The InChIKey is UZEZFZALHFNBEY-PTNGSMBKSA-N. The full InChI is InChI=1S/C16H13NO2/c18-16-17(14-9-5-2-6-10-14)15(12-19-16)11-13-7-3-1-4-8-13/h1-11H,12H2/b15-11-.
What are the key properties of (4Z)-4-benzylidene-3-phenyl-1,3-oxazolidin-2-one?
(4Z)-4-benzylidene-3-phenyl-1,3-oxazolidin-2-one has a molecular weight of 251.29 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-benzylidene-3-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 135037449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).