5-[(2-chlorophenyl)methyl]-2-[(2S)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]-1,3-oxazole

C20H23ClN4O3S — CID 124998057

IUPAC5-[(2-chlorophenyl)methyl]-2-[(2S)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]-1,3-oxazole
SMILESCc1nn(C)cc1S(=O)(=O)N1CCCC[C@H]1c1ncc(Cc2ccccc2Cl)o1
InChIInChI=1S/C20H23ClN4O3S/c1-14-19(13-24(2)23-14)29(26,27)25-10-6-5-9-18(25)20-22-12-16(28-20)11-15-7-3-4-8-17(15)21/h3-4,7-8,12-13,18H,5-6,9-11H2,1-2H3/t18-/m0/s1
InChIKeyREXBSXWYZPZJGJ-SFHVURJKSA-N
MW434.95 g/mol
LogP3.88
Rot. Bonds5

About 5-[(2-chlorophenyl)methyl]-2-[(2S)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]-1,3-oxazole

5-[(2-chlorophenyl)methyl]-2-[(2S)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]-1,3-oxazole (PubChem CID 124998057) has the molecular formula C20H23ClN4O3S and a molecular weight of 434.95 g/mol. Its IUPAC name is 5-[(2-chlorophenyl)methyl]-2-[(2S)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]-1,3-oxazole.

Molecular Properties

Compound Name5-[(2-chlorophenyl)methyl]-2-[(2S)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]-1,3-oxazole
PubChem CID124998057
Molecular FormulaC20H23ClN4O3S
Molecular Weight434.95 g/mol
Exact Mass434.12
IUPAC Name5-[(2-chlorophenyl)methyl]-2-[(2S)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]-1,3-oxazole
SMILESCc1nn(C)cc1S(=O)(=O)N1CCCC[C@H]1c1ncc(Cc2ccccc2Cl)o1
InChIInChI=1S/C20H23ClN4O3S/c1-14-19(13-24(2)23-14)29(26,27)25-10-6-5-9-18(25)20-22-12-16(28-20)11-15-7-3-4-8-17(15)21/h3-4,7-8,12-13,18H,5-6,9-11H2,1-2H3/t18-/m0/s1
InChIKeyREXBSXWYZPZJGJ-SFHVURJKSA-N
XLogP3.88
TPSA81.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.95
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[(2-chlorophenyl)methyl]-2-[(2S)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]-1,3-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-[(3-chlorophenyl)methyl]-2-[(2R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]-1,3-oxazole
CID 124995262
5-[(2-chlorophenyl)methyl]-2-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]-1,3-oxazole
CID 125012750
[2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 110120572
2-[(3S)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]-5-[(2-methoxyphenyl)methyl]-1,3-oxazole
CID 124993357
[2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-pyrimidin-2-ylmethanone
CID 155902667
1-[(2S)-2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)ethanone
CID 124949387
1-[2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 110121378
5-[1-(1,3-dimethylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 126803186
N-[2-[2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]acetamide
CID 110120557
[(2S)-2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone
CID 124989865
[2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone
CID 110120822
1-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-(4-methyl-1H-pyrazol-5-yl)piperidine
CID 110271079

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorophenyl)methyl]-2-[(2S)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]-1,3-oxazole?
The IUPAC name of 5-[(2-chlorophenyl)methyl]-2-[(2S)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]-1,3-oxazole (CID 124998057) is 5-[(2-chlorophenyl)methyl]-2-[(2S)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]-1,3-oxazole.
What is the SMILES notation for 5-[(2-chlorophenyl)methyl]-2-[(2S)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]-1,3-oxazole?
The canonical SMILES for 5-[(2-chlorophenyl)methyl]-2-[(2S)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]-1,3-oxazole is Cc1nn(C)cc1S(=O)(=O)N1CCCC[C@H]1c1ncc(Cc2ccccc2Cl)o1.
What is the InChIKey of 5-[(2-chlorophenyl)methyl]-2-[(2S)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]-1,3-oxazole?
The InChIKey is REXBSXWYZPZJGJ-SFHVURJKSA-N. The full InChI is InChI=1S/C20H23ClN4O3S/c1-14-19(13-24(2)23-14)29(26,27)25-10-6-5-9-18(25)20-22-12-16(28-20)11-15-7-3-4-8-17(15)21/h3-4,7-8,12-13,18H,5-6,9-11H2,1-2H3/t18-/m0/s1.
What are the key properties of 5-[(2-chlorophenyl)methyl]-2-[(2S)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]-1,3-oxazole?
5-[(2-chlorophenyl)methyl]-2-[(2S)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]-1,3-oxazole has a molecular weight of 434.95 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorophenyl)methyl]-2-[(2S)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]-1,3-oxazole is sourced from PubChem (CID 124998057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).