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

C18H23N3O4S — CID 15990913

IUPAC1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(4-methylphenyl)piperidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3c(C)noc3C)C2)cc1
InChIInChI=1S/C18H23N3O4S/c1-12-6-8-16(9-7-12)19-18(22)15-5-4-10-21(11-15)26(23,24)17-13(2)20-25-14(17)3/h6-9,15H,4-5,10-11H2,1-3H3,(H,19,22)
InChIKeyALKZUKNUVXJGIH-UHFFFAOYSA-N
MW377.47 g/mol
LogP2.64
Rot. Bonds4

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

1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(4-methylphenyl)piperidine-3-carboxamide (PubChem CID 15990913) has the molecular formula C18H23N3O4S and a molecular weight of 377.47 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(4-methylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(4-methylphenyl)piperidine-3-carboxamide
PubChem CID15990913
Molecular FormulaC18H23N3O4S
Molecular Weight377.47 g/mol
Exact Mass377.14
IUPAC Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(4-methylphenyl)piperidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3c(C)noc3C)C2)cc1
InChIInChI=1S/C18H23N3O4S/c1-12-6-8-16(9-7-12)19-18(22)15-5-4-10-21(11-15)26(23,24)17-13(2)20-25-14(17)3/h6-9,15H,4-5,10-11H2,1-3H3,(H,19,22)
InChIKeyALKZUKNUVXJGIH-UHFFFAOYSA-N
XLogP2.64
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Methanone, [1-(3,5-dimethyl-4-isoxazolylsulfonyl)-4-piperidinyl]phenyl-
CID 604700
N-[4-(3,4-Dimethyl-isoxazol-5-ylsulfamoyl)-phenyl]-isobutyramide
CID 678193
3,5-Dimethyl-N-{2-[4-(4-Methylbenzyl)piperidin-1-Yl]-3,4-Dioxocyclobut-1-En-1-Yl}-1,2-Oxazole-4-Sulfonamide
CID 90684390
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
3,5-dimethyl-N-(2-phenylethyl)-N-(phenylmethyl)-4-isoxazolesulfonamide
CID 3239540
N-benzyl-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
CID 2741492
N-ethyl-3,5-dimethyl-N-phenyl-1,2-oxazole-4-sulfonamide
CID 3609627
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

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(4-methylphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(4-methylphenyl)piperidine-3-carboxamide (CID 15990913) is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(4-methylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(4-methylphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(4-methylphenyl)piperidine-3-carboxamide is Cc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3c(C)noc3C)C2)cc1.
What is the InChIKey of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(4-methylphenyl)piperidine-3-carboxamide?
The InChIKey is ALKZUKNUVXJGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4S/c1-12-6-8-16(9-7-12)19-18(22)15-5-4-10-21(11-15)26(23,24)17-13(2)20-25-14(17)3/h6-9,15H,4-5,10-11H2,1-3H3,(H,19,22).
What are the key properties of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(4-methylphenyl)piperidine-3-carboxamide?
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(4-methylphenyl)piperidine-3-carboxamide has a molecular weight of 377.47 g/mol, XLogP of 2.64, 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-(4-methylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 15990913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).