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

C16H11NO2 — CID 900897

IUPAC(4Z)-4-benzylidene-3-phenyl-1,2-oxazol-5-one
SMILESO=C1ON=C(c2ccccc2)/C1=C/c1ccccc1
InChIInChI=1S/C16H11NO2/c18-16-14(11-12-7-3-1-4-8-12)15(17-19-16)13-9-5-2-6-10-13/h1-11H/b14-11-
InChIKeyDBPNBHOCUSFGKI-KAMYIIQDSA-N
MW249.27 g/mol
LogP3.03
Rot. Bonds2

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

(4Z)-4-benzylidene-3-phenyl-1,2-oxazol-5-one (PubChem CID 900897) has the molecular formula C16H11NO2 and a molecular weight of 249.27 g/mol. Its IUPAC name is (4Z)-4-benzylidene-3-phenyl-1,2-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-4-benzylidene-3-phenyl-1,2-oxazol-5-one
PubChem CID900897
Molecular FormulaC16H11NO2
Molecular Weight249.27 g/mol
Exact Mass249.08
IUPAC Name(4Z)-4-benzylidene-3-phenyl-1,2-oxazol-5-one
SMILESO=C1ON=C(c2ccccc2)/C1=C/c1ccccc1
InChIInChI=1S/C16H11NO2/c18-16-14(11-12-7-3-1-4-8-12)15(17-19-16)13-9-5-2-6-10-13/h1-11H/b14-11-
InChIKeyDBPNBHOCUSFGKI-KAMYIIQDSA-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_A(201)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4Z)-4-benzylidene-3-phenyl-1,2-oxazol-5-one?
The IUPAC name of (4Z)-4-benzylidene-3-phenyl-1,2-oxazol-5-one (CID 900897) is (4Z)-4-benzylidene-3-phenyl-1,2-oxazol-5-one.
What is the SMILES notation for (4Z)-4-benzylidene-3-phenyl-1,2-oxazol-5-one?
The canonical SMILES for (4Z)-4-benzylidene-3-phenyl-1,2-oxazol-5-one is O=C1ON=C(c2ccccc2)/C1=C/c1ccccc1.
What is the InChIKey of (4Z)-4-benzylidene-3-phenyl-1,2-oxazol-5-one?
The InChIKey is DBPNBHOCUSFGKI-KAMYIIQDSA-N. The full InChI is InChI=1S/C16H11NO2/c18-16-14(11-12-7-3-1-4-8-12)15(17-19-16)13-9-5-2-6-10-13/h1-11H/b14-11-.
What are the key properties of (4Z)-4-benzylidene-3-phenyl-1,2-oxazol-5-one?
(4Z)-4-benzylidene-3-phenyl-1,2-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 (4Z)-4-benzylidene-3-phenyl-1,2-oxazol-5-one is sourced from PubChem (CID 900897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).