(4E)-4-(furan-2-ylmethylidene)-2-[(E)-2-phenylethenyl]-1,3-oxazol-5-one

C16H11NO3 — CID 6952358

IUPAC(4E)-4-(furan-2-ylmethylidene)-2-[(E)-2-phenylethenyl]-1,3-oxazol-5-one
SMILESO=C1OC(/C=C/c2ccccc2)=N/C1=C/c1ccco1
InChIInChI=1S/C16H11NO3/c18-16-14(11-13-7-4-10-19-13)17-15(20-16)9-8-12-5-2-1-3-6-12/h1-11H/b9-8+,14-11+
InChIKeyYOQPDXMPNGKUIA-HUKVCQRGSA-N
MW265.27 g/mol
LogP3.29
Rot. Bonds3

About (4E)-4-(furan-2-ylmethylidene)-2-[(E)-2-phenylethenyl]-1,3-oxazol-5-one

(4E)-4-(furan-2-ylmethylidene)-2-[(E)-2-phenylethenyl]-1,3-oxazol-5-one (PubChem CID 6952358) has the molecular formula C16H11NO3 and a molecular weight of 265.27 g/mol. Its IUPAC name is (4E)-4-(furan-2-ylmethylidene)-2-[(E)-2-phenylethenyl]-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4E)-4-(furan-2-ylmethylidene)-2-[(E)-2-phenylethenyl]-1,3-oxazol-5-one
PubChem CID6952358
Molecular FormulaC16H11NO3
Molecular Weight265.27 g/mol
Exact Mass265.07
IUPAC Name(4E)-4-(furan-2-ylmethylidene)-2-[(E)-2-phenylethenyl]-1,3-oxazol-5-one
SMILESO=C1OC(/C=C/c2ccccc2)=N/C1=C/c1ccco1
InChIInChI=1S/C16H11NO3/c18-16-14(11-13-7-4-10-19-13)17-15(20-16)9-8-12-5-2-1-3-6-12/h1-11H/b9-8+,14-11+
InChIKeyYOQPDXMPNGKUIA-HUKVCQRGSA-N
XLogP3.29
TPSA51.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 53.29
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 (4E)-4-(furan-2-ylmethylidene)-2-[(E)-2-phenylethenyl]-1,3-oxazol-5-one?
The IUPAC name of (4E)-4-(furan-2-ylmethylidene)-2-[(E)-2-phenylethenyl]-1,3-oxazol-5-one (CID 6952358) is (4E)-4-(furan-2-ylmethylidene)-2-[(E)-2-phenylethenyl]-1,3-oxazol-5-one.
What is the SMILES notation for (4E)-4-(furan-2-ylmethylidene)-2-[(E)-2-phenylethenyl]-1,3-oxazol-5-one?
The canonical SMILES for (4E)-4-(furan-2-ylmethylidene)-2-[(E)-2-phenylethenyl]-1,3-oxazol-5-one is O=C1OC(/C=C/c2ccccc2)=N/C1=C/c1ccco1.
What is the InChIKey of (4E)-4-(furan-2-ylmethylidene)-2-[(E)-2-phenylethenyl]-1,3-oxazol-5-one?
The InChIKey is YOQPDXMPNGKUIA-HUKVCQRGSA-N. The full InChI is InChI=1S/C16H11NO3/c18-16-14(11-13-7-4-10-19-13)17-15(20-16)9-8-12-5-2-1-3-6-12/h1-11H/b9-8+,14-11+.
What are the key properties of (4E)-4-(furan-2-ylmethylidene)-2-[(E)-2-phenylethenyl]-1,3-oxazol-5-one?
(4E)-4-(furan-2-ylmethylidene)-2-[(E)-2-phenylethenyl]-1,3-oxazol-5-one has a molecular weight of 265.27 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-(furan-2-ylmethylidene)-2-[(E)-2-phenylethenyl]-1,3-oxazol-5-one is sourced from PubChem (CID 6952358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).