3-(3,4-dimethoxyphenyl)-5-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]-1,2-oxazole

C26H33N3O4 — CID 22727360

IUPAC3-(3,4-dimethoxyphenyl)-5-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]-1,2-oxazole
SMILESCCOc1ccccc1N1CCN(CCCc2cc(-c3ccc(OC)c(OC)c3)no2)CC1
InChIInChI=1S/C26H33N3O4/c1-4-32-24-10-6-5-9-23(24)29-16-14-28(15-17-29)13-7-8-21-19-22(27-33-21)20-11-12-25(30-2)26(18-20)31-3/h5-6,9-12,18-19H,4,7-8,13-17H2,1-3H3
InChIKeyNMGYEVFEGOAUCZ-UHFFFAOYSA-N
MW451.57 g/mol
LogP4.51
Rot. Bonds10

About 3-(3,4-dimethoxyphenyl)-5-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]-1,2-oxazole

3-(3,4-dimethoxyphenyl)-5-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]-1,2-oxazole (PubChem CID 22727360) has the molecular formula C26H33N3O4 and a molecular weight of 451.57 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-5-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]-1,2-oxazole.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-5-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]-1,2-oxazole
PubChem CID22727360
Molecular FormulaC26H33N3O4
Molecular Weight451.57 g/mol
Exact Mass451.25
IUPAC Name3-(3,4-dimethoxyphenyl)-5-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]-1,2-oxazole
SMILESCCOc1ccccc1N1CCN(CCCc2cc(-c3ccc(OC)c(OC)c3)no2)CC1
InChIInChI=1S/C26H33N3O4/c1-4-32-24-10-6-5-9-23(24)29-16-14-28(15-17-29)13-7-8-21-19-22(27-33-21)20-11-12-25(30-2)26(18-20)31-3/h5-6,9-12,18-19H,4,7-8,13-17H2,1-3H3
InChIKeyNMGYEVFEGOAUCZ-UHFFFAOYSA-N
XLogP4.51
TPSA60.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.57
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-(3,4-dimethoxyphenyl)-5-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]-1,2-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3-phenyl-1,2-oxazole
CID 22727335
(5R)-3-(3,4-dimethoxyphenyl)-5-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]-4,5-dihydro-1,2-oxazole
CID 16744171
[4-(2-ethoxyphenyl)piperazin-1-yl]-[3-(4-methylphenyl)-1,2-oxazol-5-yl]methanone
CID 38414706
2-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]isoindole-1,3-dione
CID 33055181
[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 15998425
4-[4-(2-ethoxyphenyl)piperazin-1-yl]butanoic acid
CID 119134368
1-[3-(4,5-dimethoxy-2-pyrrol-1-ylphenyl)propyl]-4-(2-methoxyphenyl)piperazine
CID 21481034
3-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]-5-fluoro-1H-indole
CID 177378521
1-(2-ethoxyphenyl)-4-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperazine
CID 2846107
3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-amine
CID 10467259
2-[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]-1,3,4-oxadiazole
CID 13062009
1-[2-(1,3-dioxolan-2-yl)ethyl]-4-(2-ethoxyphenyl)piperazine
CID 86795517

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-5-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]-1,2-oxazole?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-5-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]-1,2-oxazole (CID 22727360) is 3-(3,4-dimethoxyphenyl)-5-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]-1,2-oxazole.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-5-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]-1,2-oxazole?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-5-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]-1,2-oxazole is CCOc1ccccc1N1CCN(CCCc2cc(-c3ccc(OC)c(OC)c3)no2)CC1.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-5-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]-1,2-oxazole?
The InChIKey is NMGYEVFEGOAUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O4/c1-4-32-24-10-6-5-9-23(24)29-16-14-28(15-17-29)13-7-8-21-19-22(27-33-21)20-11-12-25(30-2)26(18-20)31-3/h5-6,9-12,18-19H,4,7-8,13-17H2,1-3H3.
What are the key properties of 3-(3,4-dimethoxyphenyl)-5-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]-1,2-oxazole?
3-(3,4-dimethoxyphenyl)-5-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]-1,2-oxazole has a molecular weight of 451.57 g/mol, XLogP of 4.51, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-5-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]-1,2-oxazole is sourced from PubChem (CID 22727360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).