(4Z)-4-(furan-2-ylmethylidene)-2-(4-methoxyphenyl)-1,3-oxazol-5-one

C15H11NO4 — CID 6151803

IUPAC(4Z)-4-(furan-2-ylmethylidene)-2-(4-methoxyphenyl)-1,3-oxazol-5-one
SMILESCOc1ccc(C2=N/C(=C\c3ccco3)C(=O)O2)cc1
InChIInChI=1S/C15H11NO4/c1-18-11-6-4-10(5-7-11)14-16-13(15(17)20-14)9-12-3-2-8-19-12/h2-9H,1H3/b13-9-
InChIKeyLXLRQPCNJSYING-LCYFTJDESA-N
MW269.26 g/mol
LogP2.63
Rot. Bonds3

About (4Z)-4-(furan-2-ylmethylidene)-2-(4-methoxyphenyl)-1,3-oxazol-5-one

(4Z)-4-(furan-2-ylmethylidene)-2-(4-methoxyphenyl)-1,3-oxazol-5-one (PubChem CID 6151803) has the molecular formula C15H11NO4 and a molecular weight of 269.26 g/mol. Its IUPAC name is (4Z)-4-(furan-2-ylmethylidene)-2-(4-methoxyphenyl)-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-4-(furan-2-ylmethylidene)-2-(4-methoxyphenyl)-1,3-oxazol-5-one
PubChem CID6151803
Molecular FormulaC15H11NO4
Molecular Weight269.26 g/mol
Exact Mass269.07
IUPAC Name(4Z)-4-(furan-2-ylmethylidene)-2-(4-methoxyphenyl)-1,3-oxazol-5-one
SMILESCOc1ccc(C2=N/C(=C\c3ccco3)C(=O)O2)cc1
InChIInChI=1S/C15H11NO4/c1-18-11-6-4-10(5-7-11)14-16-13(15(17)20-14)9-12-3-2-8-19-12/h2-9H,1H3/b13-9-
InChIKeyLXLRQPCNJSYING-LCYFTJDESA-N
XLogP2.63
TPSA61.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (4Z)-4-(furan-2-ylmethylidene)-2-(4-methoxyphenyl)-1,3-oxazol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-(furan-2-ylmethylidene)-2-(4-methoxyphenyl)-1,3-oxazol-5-one?
The IUPAC name of (4Z)-4-(furan-2-ylmethylidene)-2-(4-methoxyphenyl)-1,3-oxazol-5-one (CID 6151803) is (4Z)-4-(furan-2-ylmethylidene)-2-(4-methoxyphenyl)-1,3-oxazol-5-one.
What is the SMILES notation for (4Z)-4-(furan-2-ylmethylidene)-2-(4-methoxyphenyl)-1,3-oxazol-5-one?
The canonical SMILES for (4Z)-4-(furan-2-ylmethylidene)-2-(4-methoxyphenyl)-1,3-oxazol-5-one is COc1ccc(C2=N/C(=C\c3ccco3)C(=O)O2)cc1.
What is the InChIKey of (4Z)-4-(furan-2-ylmethylidene)-2-(4-methoxyphenyl)-1,3-oxazol-5-one?
The InChIKey is LXLRQPCNJSYING-LCYFTJDESA-N. The full InChI is InChI=1S/C15H11NO4/c1-18-11-6-4-10(5-7-11)14-16-13(15(17)20-14)9-12-3-2-8-19-12/h2-9H,1H3/b13-9-.
What are the key properties of (4Z)-4-(furan-2-ylmethylidene)-2-(4-methoxyphenyl)-1,3-oxazol-5-one?
(4Z)-4-(furan-2-ylmethylidene)-2-(4-methoxyphenyl)-1,3-oxazol-5-one has a molecular weight of 269.26 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-(furan-2-ylmethylidene)-2-(4-methoxyphenyl)-1,3-oxazol-5-one is sourced from PubChem (CID 6151803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).