[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidin-1-yl]methanone

C21H23ClN4O2S — CID 71800858

IUPAC[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidin-1-yl]methanone
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)N1CCC(CSc2nccn2C)CC1
InChIInChI=1S/C21H23ClN4O2S/c1-14-18(19(24-28-14)16-5-3-4-6-17(16)22)20(27)26-10-7-15(8-11-26)13-29-21-23-9-12-25(21)2/h3-6,9,12,15H,7-8,10-11,13H2,1-2H3
InChIKeyUUHPSNKVJLQROC-UHFFFAOYSA-N
MW430.96 g/mol
LogP4.68
Rot. Bonds5

About [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidin-1-yl]methanone

[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidin-1-yl]methanone (PubChem CID 71800858) has the molecular formula C21H23ClN4O2S and a molecular weight of 430.96 g/mol. Its IUPAC name is [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidin-1-yl]methanone
PubChem CID71800858
Molecular FormulaC21H23ClN4O2S
Molecular Weight430.96 g/mol
Exact Mass430.12
IUPAC Name[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidin-1-yl]methanone
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)N1CCC(CSc2nccn2C)CC1
InChIInChI=1S/C21H23ClN4O2S/c1-14-18(19(24-28-14)16-5-3-4-6-17(16)22)20(27)26-10-7-15(8-11-26)13-29-21-23-9-12-25(21)2/h3-6,9,12,15H,7-8,10-11,13H2,1-2H3
InChIKeyUUHPSNKVJLQROC-UHFFFAOYSA-N
XLogP4.68
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.96
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidin-1-yl]methanone 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-[3-(2-Chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-1,2,4-oxadiazol-3-yl}pyridine
CID 666253
5-[3-(2-Chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 878335
3-(2,6-Dichlorophenyl)-5-methylisoxazol-4-YL 4-pyrimidin-2-ylpiperazinyl ketone
CID 1094870
(3-(2-chlorophenyl)-5-methylisoxazol-4-yl)(2-((pyridin-3-ylmethyl)thio)-4,5-dihydro-1H-imidazol-1-yl)methanone
CID 3242813
[3-(2-Chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 1094868
2-(4-{[3-(2-Chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl}-1-piperazinyl)pyrimidine
CID 1094869
3-(2-chlorophenyl)-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-5-methylisoxazole-4-carboxamide
CID 3238000
3-(2-chlorophenyl)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-5-methylisoxazole-4-carboxamide
CID 3242222
3-(2-chlorophenyl)-5-methyl-N-[3-(3-methyl-2-imidazo[1,2-a]pyrimidinyl)phenyl]-4-isoxazolecarboxamide
CID 3242922
5-[3-(2-Chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole
CID 2742570
5-methyl-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-3-phenyl-1,2-oxazole-4-carboxamide
CID 17558900
3-(2-chlorophenyl)-N-{[6-(4-fluorophenyl)-2H,3H-imidazo[2,1-b][1,3]thiazol-5-yl]methyl}-5-methyl-1,2-oxazole-4-carboxamide
CID 27453357

Frequently Asked Questions

What is the IUPAC name of [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidin-1-yl]methanone?
The IUPAC name of [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidin-1-yl]methanone (CID 71800858) is [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidin-1-yl]methanone.
What is the SMILES notation for [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidin-1-yl]methanone?
The canonical SMILES for [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidin-1-yl]methanone is Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCC(CSc2nccn2C)CC1.
What is the InChIKey of [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidin-1-yl]methanone?
The InChIKey is UUHPSNKVJLQROC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O2S/c1-14-18(19(24-28-14)16-5-3-4-6-17(16)22)20(27)26-10-7-15(8-11-26)13-29-21-23-9-12-25(21)2/h3-6,9,12,15H,7-8,10-11,13H2,1-2H3.
What are the key properties of [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidin-1-yl]methanone?
[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidin-1-yl]methanone has a molecular weight of 430.96 g/mol, XLogP of 4.68, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidin-1-yl]methanone is sourced from PubChem (CID 71800858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).