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

C16H10FNO2 — CID 740036

IUPAC(4Z)-4-benzylidene-2-(3-fluorophenyl)-1,3-oxazol-5-one
SMILESO=C1OC(c2cccc(F)c2)=N/C1=C\c1ccccc1
InChIInChI=1S/C16H10FNO2/c17-13-8-4-7-12(10-13)15-18-14(16(19)20-15)9-11-5-2-1-3-6-11/h1-10H/b14-9-
InChIKeyNYTOKLBYOCWFAC-ZROIWOOFSA-N
MW267.26 g/mol
LogP3.17
Rot. Bonds2

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

(4Z)-4-benzylidene-2-(3-fluorophenyl)-1,3-oxazol-5-one (PubChem CID 740036) has the molecular formula C16H10FNO2 and a molecular weight of 267.26 g/mol. Its IUPAC name is (4Z)-4-benzylidene-2-(3-fluorophenyl)-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-4-benzylidene-2-(3-fluorophenyl)-1,3-oxazol-5-one
PubChem CID740036
Molecular FormulaC16H10FNO2
Molecular Weight267.26 g/mol
Exact Mass267.07
IUPAC Name(4Z)-4-benzylidene-2-(3-fluorophenyl)-1,3-oxazol-5-one
SMILESO=C1OC(c2cccc(F)c2)=N/C1=C\c1ccccc1
InChIInChI=1S/C16H10FNO2/c17-13-8-4-7-12(10-13)15-18-14(16(19)20-15)9-11-5-2-1-3-6-11/h1-10H/b14-9-
InChIKeyNYTOKLBYOCWFAC-ZROIWOOFSA-N
XLogP3.17
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.26
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4Z)-4-benzylidene-2-(3-fluorophenyl)-1,3-oxazol-5-one?
The IUPAC name of (4Z)-4-benzylidene-2-(3-fluorophenyl)-1,3-oxazol-5-one (CID 740036) is (4Z)-4-benzylidene-2-(3-fluorophenyl)-1,3-oxazol-5-one.
What is the SMILES notation for (4Z)-4-benzylidene-2-(3-fluorophenyl)-1,3-oxazol-5-one?
The canonical SMILES for (4Z)-4-benzylidene-2-(3-fluorophenyl)-1,3-oxazol-5-one is O=C1OC(c2cccc(F)c2)=N/C1=C\c1ccccc1.
What is the InChIKey of (4Z)-4-benzylidene-2-(3-fluorophenyl)-1,3-oxazol-5-one?
The InChIKey is NYTOKLBYOCWFAC-ZROIWOOFSA-N. The full InChI is InChI=1S/C16H10FNO2/c17-13-8-4-7-12(10-13)15-18-14(16(19)20-15)9-11-5-2-1-3-6-11/h1-10H/b14-9-.
What are the key properties of (4Z)-4-benzylidene-2-(3-fluorophenyl)-1,3-oxazol-5-one?
(4Z)-4-benzylidene-2-(3-fluorophenyl)-1,3-oxazol-5-one has a molecular weight of 267.26 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-benzylidene-2-(3-fluorophenyl)-1,3-oxazol-5-one is sourced from PubChem (CID 740036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).