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

C19H25N3O4S — CID 7436939

IUPAC1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(3,4-dimethylphenyl)piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(S(=O)(=O)c3c(C)noc3C)CC2)cc1C
InChIInChI=1S/C19H25N3O4S/c1-12-5-6-17(11-13(12)2)20-19(23)16-7-9-22(10-8-16)27(24,25)18-14(3)21-26-15(18)4/h5-6,11,16H,7-10H2,1-4H3,(H,20,23)
InChIKeyCLVUNZNXWRYYGX-UHFFFAOYSA-N
MW391.49 g/mol
LogP2.95
Rot. Bonds4

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

1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(3,4-dimethylphenyl)piperidine-4-carboxamide (PubChem CID 7436939) has the molecular formula C19H25N3O4S and a molecular weight of 391.49 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(3,4-dimethylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(3,4-dimethylphenyl)piperidine-4-carboxamide
PubChem CID7436939
Molecular FormulaC19H25N3O4S
Molecular Weight391.49 g/mol
Exact Mass391.16
IUPAC Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(3,4-dimethylphenyl)piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(S(=O)(=O)c3c(C)noc3C)CC2)cc1C
InChIInChI=1S/C19H25N3O4S/c1-12-5-6-17(11-13(12)2)20-19(23)16-7-9-22(10-8-16)27(24,25)18-14(3)21-26-15(18)4/h5-6,11,16H,7-10H2,1-4H3,(H,20,23)
InChIKeyCLVUNZNXWRYYGX-UHFFFAOYSA-N
XLogP2.95
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-({3-Methyl-5-[(1E)-2-(2,4,6-trimethylphenyl)ethenyl]-1,2-oxazol-4-YL}sulfonyl)-N-(2-phenylpropyl)piperidine-4-carboxamide
CID 16029461
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-{1-[(3,5-Dimethyl-1,2-oxazol-4-YL)sulfonyl]piperidine-4-carbonyl}-4-[3-(trifluoromethyl)phenyl]piperazine
CID 15990538
N-[8-(3,4-Dimethyl-isoxazol-5-ylsulfamoyl)-naphthalen-2-yl]-acetamide
CID 9998564
4''-Isopropylamino-biphenyl-2-sulfonic acid (3,4-dimethyl-isoxazol-5-yl)-amide
CID 10667808
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(3,4-dimethylphenyl)acetamide
CID 2119845
ethyl 4-[N-[(3,5-dimethylisoxazol-4-yl)sulfonyl]-N-(4-methylphenyl)glycyl]piperazine-1-carboxylate
CID 3235694
N-(5-chloro-2-methylphenyl)-1-[(3,5-dimethylisoxazol-4-yl)sulfonyl]piperidine-3-carboxamide
CID 3237633
4-{[(3,5-dimethylisoxazol-4-yl)sulfonyl]amino}-N-(3-ethylphenyl)benzamide
CID 3237962
4-{[(3,5-dimethylisoxazol-4-yl)sulfonyl]amino}-N-(3,4-dimethylphenyl)benzamide
CID 3240782
4-{[(3,5-dimethylisoxazol-4-yl)sulfonyl]amino}-N-(2-phenylethyl)benzamide
CID 3241358

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(3,4-dimethylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(3,4-dimethylphenyl)piperidine-4-carboxamide (CID 7436939) is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(3,4-dimethylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(3,4-dimethylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(3,4-dimethylphenyl)piperidine-4-carboxamide is Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3c(C)noc3C)CC2)cc1C.
What is the InChIKey of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(3,4-dimethylphenyl)piperidine-4-carboxamide?
The InChIKey is CLVUNZNXWRYYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4S/c1-12-5-6-17(11-13(12)2)20-19(23)16-7-9-22(10-8-16)27(24,25)18-14(3)21-26-15(18)4/h5-6,11,16H,7-10H2,1-4H3,(H,20,23).
What are the key properties of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(3,4-dimethylphenyl)piperidine-4-carboxamide?
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(3,4-dimethylphenyl)piperidine-4-carboxamide has a molecular weight of 391.49 g/mol, XLogP of 2.95, 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-(3,4-dimethylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 7436939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).