(4E)-4-[(2-ethoxyphenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one

C16H13NO4 — CID 867057

IUPAC(4E)-4-[(2-ethoxyphenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one
SMILESCCOc1ccccc1/C=C1/N=C(c2ccco2)OC1=O
InChIInChI=1S/C16H13NO4/c1-2-19-13-7-4-3-6-11(13)10-12-16(18)21-15(17-12)14-8-5-9-20-14/h3-10H,2H2,1H3/b12-10+
InChIKeyBHEGVPPITKDKFZ-ZRDIBKRKSA-N
MW283.28 g/mol
LogP3.02
Rot. Bonds4

About (4E)-4-[(2-ethoxyphenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one

(4E)-4-[(2-ethoxyphenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one (PubChem CID 867057) has the molecular formula C16H13NO4 and a molecular weight of 283.28 g/mol. Its IUPAC name is (4E)-4-[(2-ethoxyphenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4E)-4-[(2-ethoxyphenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one
PubChem CID867057
Molecular FormulaC16H13NO4
Molecular Weight283.28 g/mol
Exact Mass283.08
IUPAC Name(4E)-4-[(2-ethoxyphenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one
SMILESCCOc1ccccc1/C=C1/N=C(c2ccco2)OC1=O
InChIInChI=1S/C16H13NO4/c1-2-19-13-7-4-3-6-11(13)10-12-16(18)21-15(17-12)14-8-5-9-20-14/h3-10H,2H2,1H3/b12-10+
InChIKeyBHEGVPPITKDKFZ-ZRDIBKRKSA-N
XLogP3.02
TPSA61.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 53.02
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

(4Z)-4-[(E)-3-(furan-2-yl)prop-2-enylidene]-2-phenyl-1,3-oxazol-5-one
CID 5410709
(4Z)-2-(furan-2-yl)-4-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-oxazol-5-one
CID 1227448
4-bromo-2-{[2-(2-furyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl methanesulfonate
CID 2182306
(4E)-4-(2-furylmethylene)-2-[(E)-2-phenylvinyl]-1,3-oxazol-5(4H)-one
CID 6952358
(4Z)-4-[(Furan-2-YL)methylidene]-2-(2-methylphenyl)-4,5-dihydro-1,3-oxazol-5-one
CID 1712959
(4Z)-4-(furan-2-ylmethylidene)-2-[(E)-2-phenylethenyl]-1,3-oxazol-5-one
CID 5894074
(3-Phenyl-4,5-dihydro-5-isoxazolyl)methyl 2-furoate
CID 2815877
4-((5-Methylfuran-2-yl)methylene)-2-(m-tolyl)oxazol-5(4H)-one
CID 5400671
4-(2-Furylmethylene)-2-phenyl-1,3-oxazolin-5-one
CID 1556806
2-(4-Fluorophenyl)-4-(2-furylmethylene)-1,3-oxazol-5(4H)-one
CID 740045
(4E)-4-[(3-fluorophenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one
CID 867063
2-(2-fluorophenyl)-4-(2-furylmethylene)-1,3-oxazol-5(4H)-one
CID 1713659

Frequently Asked Questions

What is the IUPAC name of (4E)-4-[(2-ethoxyphenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one?
The IUPAC name of (4E)-4-[(2-ethoxyphenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one (CID 867057) is (4E)-4-[(2-ethoxyphenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one.
What is the SMILES notation for (4E)-4-[(2-ethoxyphenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one?
The canonical SMILES for (4E)-4-[(2-ethoxyphenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one is CCOc1ccccc1/C=C1/N=C(c2ccco2)OC1=O.
What is the InChIKey of (4E)-4-[(2-ethoxyphenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one?
The InChIKey is BHEGVPPITKDKFZ-ZRDIBKRKSA-N. The full InChI is InChI=1S/C16H13NO4/c1-2-19-13-7-4-3-6-11(13)10-12-16(18)21-15(17-12)14-8-5-9-20-14/h3-10H,2H2,1H3/b12-10+.
What are the key properties of (4E)-4-[(2-ethoxyphenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one?
(4E)-4-[(2-ethoxyphenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one has a molecular weight of 283.28 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-[(2-ethoxyphenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one is sourced from PubChem (CID 867057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).