5-(4-chlorophenyl)-N-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]-1,2-oxazole-3-carboxamide

C22H22ClN3O4S — CID 42279430

IUPAC5-(4-chlorophenyl)-N-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]-1,2-oxazole-3-carboxamide
SMILESC[C@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)cc1
InChIInChI=1S/C22H22ClN3O4S/c1-15-4-2-3-13-26(15)31(28,29)19-11-9-18(10-12-19)24-22(27)20-14-21(30-25-20)16-5-7-17(23)8-6-16/h5-12,14-15H,2-4,13H2,1H3,(H,24,27)/t15-/m0/s1
InChIKeyIDCDWCUSSJNYKJ-HNNXBMFYSA-N
MW459.96 g/mol
LogP4.81
Rot. Bonds5

About 5-(4-chlorophenyl)-N-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]-1,2-oxazole-3-carboxamide

5-(4-chlorophenyl)-N-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]-1,2-oxazole-3-carboxamide (PubChem CID 42279430) has the molecular formula C22H22ClN3O4S and a molecular weight of 459.96 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]-1,2-oxazole-3-carboxamide
PubChem CID42279430
Molecular FormulaC22H22ClN3O4S
Molecular Weight459.96 g/mol
Exact Mass459.10
IUPAC Name5-(4-chlorophenyl)-N-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]-1,2-oxazole-3-carboxamide
SMILESC[C@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)cc1
InChIInChI=1S/C22H22ClN3O4S/c1-15-4-2-3-13-26(15)31(28,29)19-11-9-18(10-12-19)24-22(27)20-14-21(30-25-20)16-5-7-17(23)8-6-16/h5-12,14-15H,2-4,13H2,1H3,(H,24,27)/t15-/m0/s1
InChIKeyIDCDWCUSSJNYKJ-HNNXBMFYSA-N
XLogP4.81
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.96
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(4-chlorophenyl)-N-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]-1,2-oxazole-3-carboxamide 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-(3,4-dimethylphenyl)-N-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]-1,2-oxazole-3-carboxamide
CID 35043262
N-(4-chlorophenyl)-4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 8762440
5-(4-chlorophenyl)-N-[4-(4-chlorophenyl)sulfonylphenyl]-1,2-oxazole-3-carboxamide
CID 139582124
6-chloro-5-methyl-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]pyridine-2-carboxamide
CID 164997311
N-[4-[(2R)-2-methylpiperidin-1-yl]sulfonylphenyl]thiadiazole-4-carboxamide
CID 26819578
2-(4-chlorophenyl)-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 19114634
5-(4-methylphenyl)-N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]-1,2-oxazole-3-carboxamide
CID 35043688
(2S)-1-(4-chlorophenyl)sulfonyl-2-methylpiperidine
CID 668791
N-(3-chloro-4-fluorophenyl)-4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 9096526
N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 41417441
2-(2,4-dichlorophenoxy)-N-[4-[(2R)-2-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 27012752
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 23795595

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]-1,2-oxazole-3-carboxamide (CID 42279430) is 5-(4-chlorophenyl)-N-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]-1,2-oxazole-3-carboxamide is C[C@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-N-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]-1,2-oxazole-3-carboxamide?
The InChIKey is IDCDWCUSSJNYKJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H22ClN3O4S/c1-15-4-2-3-13-26(15)31(28,29)19-11-9-18(10-12-19)24-22(27)20-14-21(30-25-20)16-5-7-17(23)8-6-16/h5-12,14-15H,2-4,13H2,1H3,(H,24,27)/t15-/m0/s1.
What are the key properties of 5-(4-chlorophenyl)-N-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]-1,2-oxazole-3-carboxamide?
5-(4-chlorophenyl)-N-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]-1,2-oxazole-3-carboxamide has a molecular weight of 459.96 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 42279430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).