2-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-1-(2-methylpiperidin-1-yl)ethanone

C19H24N2O4 — CID 16879258

IUPAC2-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-1-(2-methylpiperidin-1-yl)ethanone
SMILESCOc1ccc(-c2cc(CC(=O)N3CCCCC3C)no2)cc1OC
InChIInChI=1S/C19H24N2O4/c1-13-6-4-5-9-21(13)19(22)12-15-11-17(25-20-15)14-7-8-16(23-2)18(10-14)24-3/h7-8,10-11,13H,4-6,9,12H2,1-3H3
InChIKeyQASARQPVNARXGW-UHFFFAOYSA-N
MW344.41 g/mol
LogP3.30
Rot. Bonds5

About 2-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-1-(2-methylpiperidin-1-yl)ethanone

2-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-1-(2-methylpiperidin-1-yl)ethanone (PubChem CID 16879258) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is 2-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-1-(2-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-1-(2-methylpiperidin-1-yl)ethanone
PubChem CID16879258
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name2-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-1-(2-methylpiperidin-1-yl)ethanone
SMILESCOc1ccc(-c2cc(CC(=O)N3CCCCC3C)no2)cc1OC
InChIInChI=1S/C19H24N2O4/c1-13-6-4-5-9-21(13)19(22)12-15-11-17(25-20-15)14-7-8-16(23-2)18(10-14)24-3/h7-8,10-11,13H,4-6,9,12H2,1-3H3
InChIKeyQASARQPVNARXGW-UHFFFAOYSA-N
XLogP3.30
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-1-(2-methylpiperidin-1-yl)ethanone 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

2-(3,4-dimethoxyphenyl)-1-(2-methylpiperidin-1-yl)ethanone
CID 4167532
N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]cyclopentanecarboxamide
CID 16867224
1-[2-(aminomethyl)piperidin-1-yl]-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethanone;dihydrochloride
CID 119468701
1-(2-ethylpiperidin-1-yl)-2-[5-(4-methylphenyl)-1,2-oxazol-3-yl]ethanone
CID 16878406
2-cyclopentyl-N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]acetamide
CID 16867228
1-[(2S)-2-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]ethanone
CID 95340972
1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]ethanone
CID 82130829
5-[[2-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]azepan-1-yl]methyl]-2-methoxyphenol
CID 110219921
2-(4-methoxyphenyl)-1-[2-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]azepan-1-yl]ethanone
CID 110219894
2-(3,4-dimethoxyphenyl)-1-[2-(5-thiophen-2-yl-1,2-oxazol-3-yl)azepan-1-yl]ethanone
CID 110219831
2-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 16879298
[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]-(2-methylpiperidin-1-yl)methanone
CID 5128006

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-1-(2-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-1-(2-methylpiperidin-1-yl)ethanone (CID 16879258) is 2-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-1-(2-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-1-(2-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-1-(2-methylpiperidin-1-yl)ethanone is COc1ccc(-c2cc(CC(=O)N3CCCCC3C)no2)cc1OC.
What is the InChIKey of 2-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-1-(2-methylpiperidin-1-yl)ethanone?
The InChIKey is QASARQPVNARXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-13-6-4-5-9-21(13)19(22)12-15-11-17(25-20-15)14-7-8-16(23-2)18(10-14)24-3/h7-8,10-11,13H,4-6,9,12H2,1-3H3.
What are the key properties of 2-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-1-(2-methylpiperidin-1-yl)ethanone?
2-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-1-(2-methylpiperidin-1-yl)ethanone has a molecular weight of 344.41 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-1-(2-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 16879258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).