3,5-bis[(E)-2-(4-ethoxy-3-methoxyphenyl)ethenyl]-1,2-oxazole

C25H27NO5 — CID 46947067

IUPAC3,5-bis[(E)-2-(4-ethoxy-3-methoxyphenyl)ethenyl]-1,2-oxazole
SMILESCCOc1ccc(/C=C/c2cc(/C=C/c3ccc(OCC)c(OC)c3)on2)cc1OC
InChIInChI=1S/C25H27NO5/c1-5-29-22-13-9-18(15-24(22)27-3)7-11-20-17-21(31-26-20)12-8-19-10-14-23(30-6-2)25(16-19)28-4/h7-17H,5-6H2,1-4H3/b11-7+,12-8+
InChIKeyDGMGLUKIDOLVFX-MKICQXMISA-N
MW421.49 g/mol
LogP5.83
Rot. Bonds10

About 3,5-bis[(E)-2-(4-ethoxy-3-methoxyphenyl)ethenyl]-1,2-oxazole

3,5-bis[(E)-2-(4-ethoxy-3-methoxyphenyl)ethenyl]-1,2-oxazole (PubChem CID 46947067) has the molecular formula C25H27NO5 and a molecular weight of 421.49 g/mol. Its IUPAC name is 3,5-bis[(E)-2-(4-ethoxy-3-methoxyphenyl)ethenyl]-1,2-oxazole.

Molecular Properties

Compound Name3,5-bis[(E)-2-(4-ethoxy-3-methoxyphenyl)ethenyl]-1,2-oxazole
PubChem CID46947067
Molecular FormulaC25H27NO5
Molecular Weight421.49 g/mol
Exact Mass421.19
IUPAC Name3,5-bis[(E)-2-(4-ethoxy-3-methoxyphenyl)ethenyl]-1,2-oxazole
SMILESCCOc1ccc(/C=C/c2cc(/C=C/c3ccc(OCC)c(OC)c3)on2)cc1OC
InChIInChI=1S/C25H27NO5/c1-5-29-22-13-9-18(15-24(22)27-3)7-11-20-17-21(31-26-20)12-8-19-10-14-23(30-6-2)25(16-19)28-4/h7-17H,5-6H2,1-4H3/b11-7+,12-8+
InChIKeyDGMGLUKIDOLVFX-MKICQXMISA-N
XLogP5.83
TPSA62.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.49
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3,5-bis[(E)-2-(3-methoxy-4-pentoxyphenyl)ethenyl]-1,2-oxazole
CID 46947065
4-[(E)-2-[3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-1,2-oxazol-5-yl]ethenyl]-2-methoxyphenol
CID 135923992
[4-[(E)-2-[5-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-1,2-oxazol-3-yl]ethenyl]-2-methoxyphenyl] acetate
CID 135894710
3-(4-ethoxy-3-methoxyphenyl)prop-2-enenitrile
CID 5201241
[2-ethoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] sulfamate
CID 137451049
4-(4-ethoxy-3-methoxyphenyl)but-3-en-1-amine
CID 76996860
(E)-1-(2,5-dimethoxyphenyl)-3-(4-ethoxy-3-methoxyphenyl)prop-2-en-1-one
CID 7515329
2-(3,4-diethoxyphenyl)ethenamine
CID 70502860
(E)-3-(4-ethoxy-3-methoxyphenyl)-N-sulfonylprop-2-enamide
CID 175480997
(1E,6E)-1-(4-ethoxy-3-methoxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione
CID 176896377
4-[(E)-2-(3-ethoxy-4-methoxyphenyl)ethenyl]-2-propan-2-yl-1H-pyrimidin-6-one
CID 135725564
4-ethenyl-2-ethoxy-1-methoxybenzene
CID 11665489

Frequently Asked Questions

What is the IUPAC name of 3,5-bis[(E)-2-(4-ethoxy-3-methoxyphenyl)ethenyl]-1,2-oxazole?
The IUPAC name of 3,5-bis[(E)-2-(4-ethoxy-3-methoxyphenyl)ethenyl]-1,2-oxazole (CID 46947067) is 3,5-bis[(E)-2-(4-ethoxy-3-methoxyphenyl)ethenyl]-1,2-oxazole.
What is the SMILES notation for 3,5-bis[(E)-2-(4-ethoxy-3-methoxyphenyl)ethenyl]-1,2-oxazole?
The canonical SMILES for 3,5-bis[(E)-2-(4-ethoxy-3-methoxyphenyl)ethenyl]-1,2-oxazole is CCOc1ccc(/C=C/c2cc(/C=C/c3ccc(OCC)c(OC)c3)on2)cc1OC.
What is the InChIKey of 3,5-bis[(E)-2-(4-ethoxy-3-methoxyphenyl)ethenyl]-1,2-oxazole?
The InChIKey is DGMGLUKIDOLVFX-MKICQXMISA-N. The full InChI is InChI=1S/C25H27NO5/c1-5-29-22-13-9-18(15-24(22)27-3)7-11-20-17-21(31-26-20)12-8-19-10-14-23(30-6-2)25(16-19)28-4/h7-17H,5-6H2,1-4H3/b11-7+,12-8+.
What are the key properties of 3,5-bis[(E)-2-(4-ethoxy-3-methoxyphenyl)ethenyl]-1,2-oxazole?
3,5-bis[(E)-2-(4-ethoxy-3-methoxyphenyl)ethenyl]-1,2-oxazole has a molecular weight of 421.49 g/mol, XLogP of 5.83, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis[(E)-2-(4-ethoxy-3-methoxyphenyl)ethenyl]-1,2-oxazole is sourced from PubChem (CID 46947067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).