2-(5-methyl-1,2-oxazol-3-yl)-1-(2-pyridin-4-ylpiperazin-1-yl)ethanone

C15H18N4O2 — CID 138000455

IUPAC2-(5-methyl-1,2-oxazol-3-yl)-1-(2-pyridin-4-ylpiperazin-1-yl)ethanone
SMILESCc1cc(CC(=O)N2CCNCC2c2ccncc2)no1
InChIInChI=1S/C15H18N4O2/c1-11-8-13(18-21-11)9-15(20)19-7-6-17-10-14(19)12-2-4-16-5-3-12/h2-5,8,14,17H,6-7,9-10H2,1H3
InChIKeyGUMKZAWZJXPJPB-UHFFFAOYSA-N
MW286.34 g/mol
LogP1.09
Rot. Bonds3

About 2-(5-methyl-1,2-oxazol-3-yl)-1-(2-pyridin-4-ylpiperazin-1-yl)ethanone

2-(5-methyl-1,2-oxazol-3-yl)-1-(2-pyridin-4-ylpiperazin-1-yl)ethanone (PubChem CID 138000455) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 2-(5-methyl-1,2-oxazol-3-yl)-1-(2-pyridin-4-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(5-methyl-1,2-oxazol-3-yl)-1-(2-pyridin-4-ylpiperazin-1-yl)ethanone
PubChem CID138000455
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Name2-(5-methyl-1,2-oxazol-3-yl)-1-(2-pyridin-4-ylpiperazin-1-yl)ethanone
SMILESCc1cc(CC(=O)N2CCNCC2c2ccncc2)no1
InChIInChI=1S/C15H18N4O2/c1-11-8-13(18-21-11)9-15(20)19-7-6-17-10-14(19)12-2-4-16-5-3-12/h2-5,8,14,17H,6-7,9-10H2,1H3
InChIKeyGUMKZAWZJXPJPB-UHFFFAOYSA-N
XLogP1.09
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(5-methyl-1,2-oxazol-3-yl)-1-(2-pyridin-4-ylpiperazin-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-(5-methyl-1,2-oxazol-3-yl)-1-(2-methylpiperazin-1-yl)ethanone;hydrochloride
CID 119470790
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone;hydrochloride
CID 120738843
1-[2-(4-ethylphenyl)piperazin-1-yl]-2-(5-methyl-1H-pyrazol-3-yl)ethanone;hydrochloride
CID 120740892
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride
CID 120732156
2-(4-methoxyphenyl)-1-(2-phenylpiperazin-1-yl)ethanone
CID 110109133
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 125013128
2-(3,5-dimethylpyrazol-1-yl)-1-[(2S)-2-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 124983690
2-(4-methoxyphenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone
CID 120731250
1-[2-(3-fluorophenyl)piperazin-1-yl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propan-1-one;dihydrochloride
CID 120737519
(2,5-dimethyl-1,3-thiazol-4-yl)-(2-pyridin-4-ylpiperazin-1-yl)methanone
CID 128877823
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 120737106
1-[2-(4-ethylphenyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 120741031

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1,2-oxazol-3-yl)-1-(2-pyridin-4-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(5-methyl-1,2-oxazol-3-yl)-1-(2-pyridin-4-ylpiperazin-1-yl)ethanone (CID 138000455) is 2-(5-methyl-1,2-oxazol-3-yl)-1-(2-pyridin-4-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(5-methyl-1,2-oxazol-3-yl)-1-(2-pyridin-4-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(5-methyl-1,2-oxazol-3-yl)-1-(2-pyridin-4-ylpiperazin-1-yl)ethanone is Cc1cc(CC(=O)N2CCNCC2c2ccncc2)no1.
What is the InChIKey of 2-(5-methyl-1,2-oxazol-3-yl)-1-(2-pyridin-4-ylpiperazin-1-yl)ethanone?
The InChIKey is GUMKZAWZJXPJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-11-8-13(18-21-11)9-15(20)19-7-6-17-10-14(19)12-2-4-16-5-3-12/h2-5,8,14,17H,6-7,9-10H2,1H3.
What are the key properties of 2-(5-methyl-1,2-oxazol-3-yl)-1-(2-pyridin-4-ylpiperazin-1-yl)ethanone?
2-(5-methyl-1,2-oxazol-3-yl)-1-(2-pyridin-4-ylpiperazin-1-yl)ethanone has a molecular weight of 286.34 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1,2-oxazol-3-yl)-1-(2-pyridin-4-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 138000455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).