(4Z)-4-[(3-ethoxy-4-methoxyphenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one

C17H15NO5 — CID 19663191

IUPAC(4Z)-4-[(3-ethoxy-4-methoxyphenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one
SMILESCCOc1cc(/C=C2\N=C(c3ccco3)OC2=O)ccc1OC
InChIInChI=1S/C17H15NO5/c1-3-21-15-10-11(6-7-13(15)20-2)9-12-17(19)23-16(18-12)14-5-4-8-22-14/h4-10H,3H2,1-2H3/b12-9-
InChIKeyAJHLEFQEEGOUHJ-XFXZXTDPSA-N
MW313.31 g/mol
LogP3.03
Rot. Bonds5

About (4Z)-4-[(3-ethoxy-4-methoxyphenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one

(4Z)-4-[(3-ethoxy-4-methoxyphenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one (PubChem CID 19663191) has the molecular formula C17H15NO5 and a molecular weight of 313.31 g/mol. Its IUPAC name is (4Z)-4-[(3-ethoxy-4-methoxyphenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-4-[(3-ethoxy-4-methoxyphenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one
PubChem CID19663191
Molecular FormulaC17H15NO5
Molecular Weight313.31 g/mol
Exact Mass313.10
IUPAC Name(4Z)-4-[(3-ethoxy-4-methoxyphenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one
SMILESCCOc1cc(/C=C2\N=C(c3ccco3)OC2=O)ccc1OC
InChIInChI=1S/C17H15NO5/c1-3-21-15-10-11(6-7-13(15)20-2)9-12-17(19)23-16(18-12)14-5-4-8-22-14/h4-10H,3H2,1-2H3/b12-9-
InChIKeyAJHLEFQEEGOUHJ-XFXZXTDPSA-N
XLogP3.03
TPSA70.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-ethoxy-3-methoxyphenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one
CID 3735197
[2-ethoxy-4-[[2-(furan-2-yl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl] acetate
CID 4913334
(4Z)-4-[(3-ethoxy-4-methoxyphenyl)methylidene]-2-(3-methoxyphenyl)-1,3-oxazol-5-one
CID 1129606
2-(furan-2-yl)-4-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 5124809
(4Z)-4-[[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one
CID 19663351
4-[(3,4-diethoxyphenyl)methylidene]-2-(2-methoxyphenyl)-1,3-oxazol-5-one
CID 2865589
(4E)-4-[(3-ethoxy-4-methoxyphenyl)methylidene]-2-thiophen-2-yl-1,3-oxazol-5-one
CID 791217
(4E)-4-[(4-ethoxy-3-methoxyphenyl)methylidene]-2-(3-methoxyphenyl)-1,3-oxazol-5-one
CID 2687411
4-[(3-ethoxy-4-methoxyphenyl)methylidene]-2-(2-fluorophenyl)-1,3-oxazol-5-one
CID 3369007
(4Z)-2-(5-chloro-2-methoxyphenyl)-4-[(3,4-diethoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 126009726
(4E)-2-[4-(difluoromethoxy)-3-methoxyphenyl]-4-[(3-ethoxy-4-methoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 75460196
2-[4-(difluoromethoxy)-3-methoxyphenyl]-4-[(3-ethoxy-4-methoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 71903768

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[(3-ethoxy-4-methoxyphenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one?
The IUPAC name of (4Z)-4-[(3-ethoxy-4-methoxyphenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one (CID 19663191) is (4Z)-4-[(3-ethoxy-4-methoxyphenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one.
What is the SMILES notation for (4Z)-4-[(3-ethoxy-4-methoxyphenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one?
The canonical SMILES for (4Z)-4-[(3-ethoxy-4-methoxyphenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one is CCOc1cc(/C=C2\N=C(c3ccco3)OC2=O)ccc1OC.
What is the InChIKey of (4Z)-4-[(3-ethoxy-4-methoxyphenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one?
The InChIKey is AJHLEFQEEGOUHJ-XFXZXTDPSA-N. The full InChI is InChI=1S/C17H15NO5/c1-3-21-15-10-11(6-7-13(15)20-2)9-12-17(19)23-16(18-12)14-5-4-8-22-14/h4-10H,3H2,1-2H3/b12-9-.
What are the key properties of (4Z)-4-[(3-ethoxy-4-methoxyphenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one?
(4Z)-4-[(3-ethoxy-4-methoxyphenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one has a molecular weight of 313.31 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[(3-ethoxy-4-methoxyphenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one is sourced from PubChem (CID 19663191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).