4-benzylidene-2-(furan-2-yl)-1,3-oxazol-5-one

C14H9NO3 — CID 2839403

IUPAC4-benzylidene-2-(furan-2-yl)-1,3-oxazol-5-one
SMILESO=C1OC(c2ccco2)=NC1=Cc1ccccc1
InChIInChI=1S/C14H9NO3/c16-14-11(9-10-5-2-1-3-6-10)15-13(18-14)12-7-4-8-17-12/h1-9H
InChIKeyDGCSPWXMYPBBSW-UHFFFAOYSA-N
MW239.23 g/mol
LogP2.62
Rot. Bonds2

About 4-benzylidene-2-(furan-2-yl)-1,3-oxazol-5-one

4-benzylidene-2-(furan-2-yl)-1,3-oxazol-5-one (PubChem CID 2839403) has the molecular formula C14H9NO3 and a molecular weight of 239.23 g/mol. Its IUPAC name is 4-benzylidene-2-(furan-2-yl)-1,3-oxazol-5-one.

Molecular Properties

Compound Name4-benzylidene-2-(furan-2-yl)-1,3-oxazol-5-one
PubChem CID2839403
Molecular FormulaC14H9NO3
Molecular Weight239.23 g/mol
Exact Mass239.06
IUPAC Name4-benzylidene-2-(furan-2-yl)-1,3-oxazol-5-one
SMILESO=C1OC(c2ccco2)=NC1=Cc1ccccc1
InChIInChI=1S/C14H9NO3/c16-14-11(9-10-5-2-1-3-6-10)15-13(18-14)12-7-4-8-17-12/h1-9H
InChIKeyDGCSPWXMYPBBSW-UHFFFAOYSA-N
XLogP2.62
TPSA51.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 4-benzylidene-2-(furan-2-yl)-1,3-oxazol-5-one?
The IUPAC name of 4-benzylidene-2-(furan-2-yl)-1,3-oxazol-5-one (CID 2839403) is 4-benzylidene-2-(furan-2-yl)-1,3-oxazol-5-one.
What is the SMILES notation for 4-benzylidene-2-(furan-2-yl)-1,3-oxazol-5-one?
The canonical SMILES for 4-benzylidene-2-(furan-2-yl)-1,3-oxazol-5-one is O=C1OC(c2ccco2)=NC1=Cc1ccccc1.
What is the InChIKey of 4-benzylidene-2-(furan-2-yl)-1,3-oxazol-5-one?
The InChIKey is DGCSPWXMYPBBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO3/c16-14-11(9-10-5-2-1-3-6-10)15-13(18-14)12-7-4-8-17-12/h1-9H.
What are the key properties of 4-benzylidene-2-(furan-2-yl)-1,3-oxazol-5-one?
4-benzylidene-2-(furan-2-yl)-1,3-oxazol-5-one has a molecular weight of 239.23 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzylidene-2-(furan-2-yl)-1,3-oxazol-5-one is sourced from PubChem (CID 2839403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).