(4Z)-4-[[2-ethoxy-5-(methoxymethyl)phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one

C20H19NO4 — CID 10042686

IUPAC(4Z)-4-[[2-ethoxy-5-(methoxymethyl)phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one
SMILESCCOc1ccc(COC)cc1/C=C1\N=C(c2ccccc2)OC1=O
InChIInChI=1S/C20H19NO4/c1-3-24-18-10-9-14(13-23-2)11-16(18)12-17-20(22)25-19(21-17)15-7-5-4-6-8-15/h4-12H,3,13H2,1-2H3/b17-12-
InChIKeyOYRVGRYCBZGAPO-ATVHPVEESA-N
MW337.38 g/mol
LogP3.58
Rot. Bonds6

About (4Z)-4-[[2-ethoxy-5-(methoxymethyl)phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one

(4Z)-4-[[2-ethoxy-5-(methoxymethyl)phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one (PubChem CID 10042686) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is (4Z)-4-[[2-ethoxy-5-(methoxymethyl)phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-4-[[2-ethoxy-5-(methoxymethyl)phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one
PubChem CID10042686
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC Name(4Z)-4-[[2-ethoxy-5-(methoxymethyl)phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one
SMILESCCOc1ccc(COC)cc1/C=C1\N=C(c2ccccc2)OC1=O
InChIInChI=1S/C20H19NO4/c1-3-24-18-10-9-14(13-23-2)11-16(18)12-17-20(22)25-19(21-17)15-7-5-4-6-8-15/h4-12H,3,13H2,1-2H3/b17-12-
InChIKeyOYRVGRYCBZGAPO-ATVHPVEESA-N
XLogP3.58
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.58
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-[(2-bromo-4,5-diethoxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one
CID 1020366
4-[[2-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylidene]-2-phenyl-1,3-oxazol-5-one
CID 3966051
(4E)-4-[(2-ethoxyphenyl)methylidene]-2-(4-methylphenyl)-1,3-oxazol-5-one
CID 6269498
4-[(3-ethoxy-4-propoxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one
CID 4150331
(4Z)-4-[(2-ethoxy-3-methoxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one
CID 6488534
(4Z)-2-(3-bromophenyl)-4-[(2-ethoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 1353722
(4Z)-4-[(2-ethoxyphenyl)methylidene]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-one
CID 6509942
2-(3-bromo-4-methoxyphenyl)-4-[(2-ethoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 5106491
(4E)-4-[[2-[2-(2-methoxy-4-methylphenoxy)ethoxy]-5-methylphenyl]methylidene]-2-phenyl-1,3-oxazol-5-one
CID 6084787
4-[[5-methoxy-2-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one
CID 4280278
(4Z)-2-(4-phenylphenyl)-4-[(2-propoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 19665303
4-[[5-chloro-2-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one
CID 4198765

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[[2-ethoxy-5-(methoxymethyl)phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one?
The IUPAC name of (4Z)-4-[[2-ethoxy-5-(methoxymethyl)phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one (CID 10042686) is (4Z)-4-[[2-ethoxy-5-(methoxymethyl)phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one.
What is the SMILES notation for (4Z)-4-[[2-ethoxy-5-(methoxymethyl)phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one?
The canonical SMILES for (4Z)-4-[[2-ethoxy-5-(methoxymethyl)phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one is CCOc1ccc(COC)cc1/C=C1\N=C(c2ccccc2)OC1=O.
What is the InChIKey of (4Z)-4-[[2-ethoxy-5-(methoxymethyl)phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one?
The InChIKey is OYRVGRYCBZGAPO-ATVHPVEESA-N. The full InChI is InChI=1S/C20H19NO4/c1-3-24-18-10-9-14(13-23-2)11-16(18)12-17-20(22)25-19(21-17)15-7-5-4-6-8-15/h4-12H,3,13H2,1-2H3/b17-12-.
What are the key properties of (4Z)-4-[[2-ethoxy-5-(methoxymethyl)phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one?
(4Z)-4-[[2-ethoxy-5-(methoxymethyl)phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one has a molecular weight of 337.38 g/mol, XLogP of 3.58, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[[2-ethoxy-5-(methoxymethyl)phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one is sourced from PubChem (CID 10042686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).