4-[3-(furan-2-yl)prop-2-enylidene]-2-(4-methoxyphenyl)-1,3-oxazol-5-one

C17H13NO4 — CID 4078415

IUPAC4-[3-(furan-2-yl)prop-2-enylidene]-2-(4-methoxyphenyl)-1,3-oxazol-5-one
SMILESCOc1ccc(C2=NC(=CC=Cc3ccco3)C(=O)O2)cc1
InChIInChI=1S/C17H13NO4/c1-20-13-9-7-12(8-10-13)16-18-15(17(19)22-16)6-2-4-14-5-3-11-21-14/h2-11H,1H3
InChIKeyXPZFIPCLDNNFFK-UHFFFAOYSA-N
MW295.29 g/mol
LogP3.19
Rot. Bonds4

About 4-[3-(furan-2-yl)prop-2-enylidene]-2-(4-methoxyphenyl)-1,3-oxazol-5-one

4-[3-(furan-2-yl)prop-2-enylidene]-2-(4-methoxyphenyl)-1,3-oxazol-5-one (PubChem CID 4078415) has the molecular formula C17H13NO4 and a molecular weight of 295.29 g/mol. Its IUPAC name is 4-[3-(furan-2-yl)prop-2-enylidene]-2-(4-methoxyphenyl)-1,3-oxazol-5-one.

Molecular Properties

Compound Name4-[3-(furan-2-yl)prop-2-enylidene]-2-(4-methoxyphenyl)-1,3-oxazol-5-one
PubChem CID4078415
Molecular FormulaC17H13NO4
Molecular Weight295.29 g/mol
Exact Mass295.08
IUPAC Name4-[3-(furan-2-yl)prop-2-enylidene]-2-(4-methoxyphenyl)-1,3-oxazol-5-one
SMILESCOc1ccc(C2=NC(=CC=Cc3ccco3)C(=O)O2)cc1
InChIInChI=1S/C17H13NO4/c1-20-13-9-7-12(8-10-13)16-18-15(17(19)22-16)6-2-4-14-5-3-11-21-14/h2-11H,1H3
InChIKeyXPZFIPCLDNNFFK-UHFFFAOYSA-N
XLogP3.19
TPSA61.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 53.19
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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Related Compounds

4-[(3,5-dimethoxyphenyl)methylidene]-2-(4-methoxyphenyl)-1,3-oxazol-5-one
CID 4816005
(4Z)-4-[(3,5-dimethoxyphenyl)methylidene]-2-(4-methoxyphenyl)-1,3-oxazol-5-one
CID 6214719
2-(3,5-dimethoxyphenyl)-4-[3-(2-methoxyphenyl)prop-2-enylidene]-1,3-oxazol-5-one
CID 5093002
(4E)-2-(4-methoxyphenyl)-4-[(2,3,4,5,6-pentafluorophenyl)methylidene]-1,3-oxazol-5-one
CID 20834596
(4Z)-2-(4-methoxyphenyl)-4-(2-methyl-3-phenylprop-2-enylidene)-1,3-oxazol-5-one
CID 6952332
2-(2-bromo-4-methoxyphenyl)-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one
CID 4298014
(4Z)-2-(2-bromo-4-methoxyphenyl)-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one
CID 6061769
(4Z)-2-(4-methoxyphenyl)-4-[(3-methoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 2258676
2-(4-methoxyphenyl)-4-[(2-methoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 3875763
2-[4-(difluoromethoxy)phenyl]-4-[(4-methoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 3328418
(4E)-2-(2,6-dimethoxyphenyl)-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one
CID 108935787
4-[3-(furan-2-yl)prop-2-enylidene]-2-methylsulfanyl-1,3-thiazol-5-one
CID 885764

Frequently Asked Questions

What is the IUPAC name of 4-[3-(furan-2-yl)prop-2-enylidene]-2-(4-methoxyphenyl)-1,3-oxazol-5-one?
The IUPAC name of 4-[3-(furan-2-yl)prop-2-enylidene]-2-(4-methoxyphenyl)-1,3-oxazol-5-one (CID 4078415) is 4-[3-(furan-2-yl)prop-2-enylidene]-2-(4-methoxyphenyl)-1,3-oxazol-5-one.
What is the SMILES notation for 4-[3-(furan-2-yl)prop-2-enylidene]-2-(4-methoxyphenyl)-1,3-oxazol-5-one?
The canonical SMILES for 4-[3-(furan-2-yl)prop-2-enylidene]-2-(4-methoxyphenyl)-1,3-oxazol-5-one is COc1ccc(C2=NC(=CC=Cc3ccco3)C(=O)O2)cc1.
What is the InChIKey of 4-[3-(furan-2-yl)prop-2-enylidene]-2-(4-methoxyphenyl)-1,3-oxazol-5-one?
The InChIKey is XPZFIPCLDNNFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO4/c1-20-13-9-7-12(8-10-13)16-18-15(17(19)22-16)6-2-4-14-5-3-11-21-14/h2-11H,1H3.
What are the key properties of 4-[3-(furan-2-yl)prop-2-enylidene]-2-(4-methoxyphenyl)-1,3-oxazol-5-one?
4-[3-(furan-2-yl)prop-2-enylidene]-2-(4-methoxyphenyl)-1,3-oxazol-5-one has a molecular weight of 295.29 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(furan-2-yl)prop-2-enylidene]-2-(4-methoxyphenyl)-1,3-oxazol-5-one is sourced from PubChem (CID 4078415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).