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

C12H7NO4 — CID 2839062

IUPAC2-(furan-2-yl)-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one
SMILESO=C1OC(c2ccco2)=NC1=Cc1ccco1
InChIInChI=1S/C12H7NO4/c14-12-9(7-8-3-1-5-15-8)13-11(17-12)10-4-2-6-16-10/h1-7H
InChIKeyRWLFUPQCUCDQER-UHFFFAOYSA-N
MW229.19 g/mol
LogP2.22
Rot. Bonds2

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

2-(furan-2-yl)-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one (PubChem CID 2839062) has the molecular formula C12H7NO4 and a molecular weight of 229.19 g/mol. Its IUPAC name is 2-(furan-2-yl)-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one.

Molecular Properties

Compound Name2-(furan-2-yl)-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one
PubChem CID2839062
Molecular FormulaC12H7NO4
Molecular Weight229.19 g/mol
Exact Mass229.04
IUPAC Name2-(furan-2-yl)-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one
SMILESO=C1OC(c2ccco2)=NC1=Cc1ccco1
InChIInChI=1S/C12H7NO4/c14-12-9(7-8-3-1-5-15-8)13-11(17-12)10-4-2-6-16-10/h1-7H
InChIKeyRWLFUPQCUCDQER-UHFFFAOYSA-N
XLogP2.22
TPSA64.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.19
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 2-(furan-2-yl)-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one?
The IUPAC name of 2-(furan-2-yl)-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one (CID 2839062) is 2-(furan-2-yl)-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one.
What is the SMILES notation for 2-(furan-2-yl)-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one?
The canonical SMILES for 2-(furan-2-yl)-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one is O=C1OC(c2ccco2)=NC1=Cc1ccco1.
What is the InChIKey of 2-(furan-2-yl)-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one?
The InChIKey is RWLFUPQCUCDQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7NO4/c14-12-9(7-8-3-1-5-15-8)13-11(17-12)10-4-2-6-16-10/h1-7H.
What are the key properties of 2-(furan-2-yl)-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one?
2-(furan-2-yl)-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one has a molecular weight of 229.19 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one is sourced from PubChem (CID 2839062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).