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

C18H17NO4 — CID 108936523

IUPAC(4E)-4-[(4-ethoxyphenyl)methylidene]-2-[2-(furan-2-yl)ethyl]-1,3-oxazol-5-one
SMILESCCOc1ccc(/C=C2/N=C(CCc3ccco3)OC2=O)cc1
InChIInChI=1S/C18H17NO4/c1-2-21-15-7-5-13(6-8-15)12-16-18(20)23-17(19-16)10-9-14-4-3-11-22-14/h3-8,11-12H,2,9-10H2,1H3/b16-12+
InChIKeyOSTRHWULXCAEKM-FOWTUZBSSA-N
MW311.34 g/mol
LogP3.61
Rot. Bonds6

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

(4E)-4-[(4-ethoxyphenyl)methylidene]-2-[2-(furan-2-yl)ethyl]-1,3-oxazol-5-one (PubChem CID 108936523) has the molecular formula C18H17NO4 and a molecular weight of 311.34 g/mol. Its IUPAC name is (4E)-4-[(4-ethoxyphenyl)methylidene]-2-[2-(furan-2-yl)ethyl]-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4E)-4-[(4-ethoxyphenyl)methylidene]-2-[2-(furan-2-yl)ethyl]-1,3-oxazol-5-one
PubChem CID108936523
Molecular FormulaC18H17NO4
Molecular Weight311.34 g/mol
Exact Mass311.12
IUPAC Name(4E)-4-[(4-ethoxyphenyl)methylidene]-2-[2-(furan-2-yl)ethyl]-1,3-oxazol-5-one
SMILESCCOc1ccc(/C=C2/N=C(CCc3ccco3)OC2=O)cc1
InChIInChI=1S/C18H17NO4/c1-2-21-15-7-5-13(6-8-15)12-16-18(20)23-17(19-16)10-9-14-4-3-11-22-14/h3-8,11-12H,2,9-10H2,1H3/b16-12+
InChIKeyOSTRHWULXCAEKM-FOWTUZBSSA-N
XLogP3.61
TPSA61.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 53.61
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

(4E)-4-[(4-tert-butylphenyl)methylidene]-2-[2-(furan-2-yl)ethyl]-1,3-oxazol-5-one
CID 108936557
(4E)-2-[2-(furan-2-yl)ethyl]-4-[(2-methoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 108936228
(4Z)-2-[2-(furan-2-yl)ethyl]-4-[(2,4,6-trimethylphenyl)methylidene]-1,3-oxazol-5-one
CID 108937535
(4Z)-2-tert-butyl-4-[(4-ethoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 17466219
(4E)-4-[(4-ethoxyphenyl)methylidene]-2-(4-methylphenyl)-1,3-oxazol-5-one
CID 740848
(4E)-4-[(4-ethoxyphenyl)methylidene]-2-[(E)-2-phenylethenyl]-1,3-oxazol-5-one
CID 6367904
(4E)-4-[(4-methoxyphenyl)methylidene]-2-[2-(4-methylphenyl)ethyl]-1,3-oxazol-5-one
CID 108936298
(4E)-4-[(3-ethoxyphenyl)methylidene]-2-[2-(2-methylphenyl)ethyl]-1,3-oxazol-5-one
CID 108936490
(4E)-4-[(3-ethoxyphenyl)methylidene]-2-[2-(3-methoxyphenyl)ethyl]-1,3-oxazol-5-one
CID 108936500
(4E)-2-cyclohexyl-4-[(4-ethoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 6368562
(4E)-2-(2-bromophenyl)-4-[(4-ethoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 1357622
4-[(4-ethoxyphenyl)methylidene]-2-(2-methoxyphenyl)-1,3-oxazol-5-one
CID 2896918

Frequently Asked Questions

What is the IUPAC name of (4E)-4-[(4-ethoxyphenyl)methylidene]-2-[2-(furan-2-yl)ethyl]-1,3-oxazol-5-one?
The IUPAC name of (4E)-4-[(4-ethoxyphenyl)methylidene]-2-[2-(furan-2-yl)ethyl]-1,3-oxazol-5-one (CID 108936523) is (4E)-4-[(4-ethoxyphenyl)methylidene]-2-[2-(furan-2-yl)ethyl]-1,3-oxazol-5-one.
What is the SMILES notation for (4E)-4-[(4-ethoxyphenyl)methylidene]-2-[2-(furan-2-yl)ethyl]-1,3-oxazol-5-one?
The canonical SMILES for (4E)-4-[(4-ethoxyphenyl)methylidene]-2-[2-(furan-2-yl)ethyl]-1,3-oxazol-5-one is CCOc1ccc(/C=C2/N=C(CCc3ccco3)OC2=O)cc1.
What is the InChIKey of (4E)-4-[(4-ethoxyphenyl)methylidene]-2-[2-(furan-2-yl)ethyl]-1,3-oxazol-5-one?
The InChIKey is OSTRHWULXCAEKM-FOWTUZBSSA-N. The full InChI is InChI=1S/C18H17NO4/c1-2-21-15-7-5-13(6-8-15)12-16-18(20)23-17(19-16)10-9-14-4-3-11-22-14/h3-8,11-12H,2,9-10H2,1H3/b16-12+.
What are the key properties of (4E)-4-[(4-ethoxyphenyl)methylidene]-2-[2-(furan-2-yl)ethyl]-1,3-oxazol-5-one?
(4E)-4-[(4-ethoxyphenyl)methylidene]-2-[2-(furan-2-yl)ethyl]-1,3-oxazol-5-one has a molecular weight of 311.34 g/mol, XLogP of 3.61, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-[(4-ethoxyphenyl)methylidene]-2-[2-(furan-2-yl)ethyl]-1,3-oxazol-5-one is sourced from PubChem (CID 108936523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).