1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(3-fluoro-4-methylphenyl)piperidine-3-carboxamide

C18H22FN3O4S — CID 3242506

IUPAC1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(3-fluoro-4-methylphenyl)piperidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3c(C)noc3C)C2)cc1F
InChIInChI=1S/C18H22FN3O4S/c1-11-6-7-15(9-16(11)19)20-18(23)14-5-4-8-22(10-14)27(24,25)17-12(2)21-26-13(17)3/h6-7,9,14H,4-5,8,10H2,1-3H3,(H,20,23)
InChIKeyKQXUJMAPOJGCOB-UHFFFAOYSA-N
MW395.46 g/mol
LogP2.78
Rot. Bonds4

About 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(3-fluoro-4-methylphenyl)piperidine-3-carboxamide

1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(3-fluoro-4-methylphenyl)piperidine-3-carboxamide (PubChem CID 3242506) has the molecular formula C18H22FN3O4S and a molecular weight of 395.46 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(3-fluoro-4-methylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(3-fluoro-4-methylphenyl)piperidine-3-carboxamide
PubChem CID3242506
Molecular FormulaC18H22FN3O4S
Molecular Weight395.46 g/mol
Exact Mass395.13
IUPAC Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(3-fluoro-4-methylphenyl)piperidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3c(C)noc3C)C2)cc1F
InChIInChI=1S/C18H22FN3O4S/c1-11-6-7-15(9-16(11)19)20-18(23)14-5-4-8-22(10-14)27(24,25)17-12(2)21-26-13(17)3/h6-7,9,14H,4-5,8,10H2,1-3H3,(H,20,23)
InChIKeyKQXUJMAPOJGCOB-UHFFFAOYSA-N
XLogP2.78
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(3-fluoro-4-methylphenyl)piperidine-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

N-[3,4-Dioxo-2-(4-{[4-(Trifluoromethyl)benzyl]amino}piperidin-1-Yl)cyclobut-1-En-1-Yl]-3,5-Dimethyl-1,2-Oxazole-4-Sulfonamide
CID 90684391
N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 4963625
1-({1-[(3,5-Dimethylisoxazol-4-yl)sulfonyl]piperidin-4-yl}carbonyl)-4-(4-fluorophenyl)piperazine
CID 3245224
1-[(3,5-dimethylisoxazol-4-yl)sulfonyl]-N-(4-ethylphenyl)piperidine-4-carboxamide
CID 7436932
1-[(3,5-Dimethyl-4-isoxazolyl)sulfonyl]-N-(3,4-dimethylphenyl)-4-piperidinecarboxamide
CID 7436939
1-{1-[(3,5-Dimethyl-1,2-oxazol-4-YL)sulfonyl]piperidine-4-carbonyl}-4-[3-(trifluoromethyl)phenyl]piperazine
CID 15990538
N-[(2-chlorophenyl)methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide
CID 20855570
4''-Isopropylamino-biphenyl-2-sulfonic acid (3,4-dimethyl-isoxazol-5-yl)-amide
CID 10667808
(2E)-N-(4-{[(3,4-dimethylisoxazol-5-yl)amino]sulfonyl}phenyl)-3-phenylprop-2-e namide
CID 2319873
3-cyclohexyl-N-(4-{[(3,4-dimethyl-5-isoxazolyl)amino]sulfonyl}phenyl)propanamide
CID 2059808
N-(3,4-dimethylisoxazol-5-yl)-4-{[(1E)-3-(4-fluorophenyl)-3-oxoprop-1-enyl]amino}benzenesulfonamide
CID 2295098
ethyl 4-[N-[(3,5-dimethylisoxazol-4-yl)sulfonyl]-N-(4-methylphenyl)glycyl]piperazine-1-carboxylate
CID 3235694

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(3-fluoro-4-methylphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(3-fluoro-4-methylphenyl)piperidine-3-carboxamide (CID 3242506) is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(3-fluoro-4-methylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(3-fluoro-4-methylphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(3-fluoro-4-methylphenyl)piperidine-3-carboxamide is Cc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3c(C)noc3C)C2)cc1F.
What is the InChIKey of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(3-fluoro-4-methylphenyl)piperidine-3-carboxamide?
The InChIKey is KQXUJMAPOJGCOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O4S/c1-11-6-7-15(9-16(11)19)20-18(23)14-5-4-8-22(10-14)27(24,25)17-12(2)21-26-13(17)3/h6-7,9,14H,4-5,8,10H2,1-3H3,(H,20,23).
What are the key properties of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(3-fluoro-4-methylphenyl)piperidine-3-carboxamide?
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(3-fluoro-4-methylphenyl)piperidine-3-carboxamide has a molecular weight of 395.46 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(3-fluoro-4-methylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 3242506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).