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

C18H23N3O4S — CID 7436944

IUPAC1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(3-methylphenyl)piperidine-4-carboxamide
SMILESCc1cccc(NC(=O)C2CCN(S(=O)(=O)c3c(C)noc3C)CC2)c1
InChIInChI=1S/C18H23N3O4S/c1-12-5-4-6-16(11-12)19-18(22)15-7-9-21(10-8-15)26(23,24)17-13(2)20-25-14(17)3/h4-6,11,15H,7-10H2,1-3H3,(H,19,22)
InChIKeyOIMBJSGUYCLZJL-UHFFFAOYSA-N
MW377.47 g/mol
LogP2.64
Rot. Bonds4

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

1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(3-methylphenyl)piperidine-4-carboxamide (PubChem CID 7436944) 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-(3-methylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(3-methylphenyl)piperidine-4-carboxamide
PubChem CID7436944
Molecular FormulaC18H23N3O4S
Molecular Weight377.47 g/mol
Exact Mass377.14
IUPAC Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(3-methylphenyl)piperidine-4-carboxamide
SMILESCc1cccc(NC(=O)C2CCN(S(=O)(=O)c3c(C)noc3C)CC2)c1
InChIInChI=1S/C18H23N3O4S/c1-12-5-4-6-16(11-12)19-18(22)15-7-9-21(10-8-15)26(23,24)17-13(2)20-25-14(17)3/h4-6,11,15H,7-10H2,1-3H3,(H,19,22)
InChIKeyOIMBJSGUYCLZJL-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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Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(3-methylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(3-methylphenyl)piperidine-4-carboxamide (CID 7436944) is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(3-methylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(3-methylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(3-methylphenyl)piperidine-4-carboxamide is Cc1cccc(NC(=O)C2CCN(S(=O)(=O)c3c(C)noc3C)CC2)c1.
What is the InChIKey of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(3-methylphenyl)piperidine-4-carboxamide?
The InChIKey is OIMBJSGUYCLZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4S/c1-12-5-4-6-16(11-12)19-18(22)15-7-9-21(10-8-15)26(23,24)17-13(2)20-25-14(17)3/h4-6,11,15H,7-10H2,1-3H3,(H,19,22).
What are the key properties of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(3-methylphenyl)piperidine-4-carboxamide?
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(3-methylphenyl)piperidine-4-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-(3-methylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 7436944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).