1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-6-methylpiperidine-3-carboxamide

C12H19N3O4S — CID 47319650

IUPAC1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-6-methylpiperidine-3-carboxamide
SMILESCc1noc(C)c1S(=O)(=O)N1CC(C(N)=O)CCC1C
InChIInChI=1S/C12H19N3O4S/c1-7-4-5-10(12(13)16)6-15(7)20(17,18)11-8(2)14-19-9(11)3/h7,10H,4-6H2,1-3H3,(H2,13,16)
InChIKeyDDCFNJNENSLGGW-UHFFFAOYSA-N
MW301.37 g/mol
LogP0.57
Rot. Bonds3

About 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-6-methylpiperidine-3-carboxamide

1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-6-methylpiperidine-3-carboxamide (PubChem CID 47319650) has the molecular formula C12H19N3O4S and a molecular weight of 301.37 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-6-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-6-methylpiperidine-3-carboxamide
PubChem CID47319650
Molecular FormulaC12H19N3O4S
Molecular Weight301.37 g/mol
Exact Mass301.11
IUPAC Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-6-methylpiperidine-3-carboxamide
SMILESCc1noc(C)c1S(=O)(=O)N1CC(C(N)=O)CCC1C
InChIInChI=1S/C12H19N3O4S/c1-7-4-5-10(12(13)16)6-15(7)20(17,18)11-8(2)14-19-9(11)3/h7,10H,4-6H2,1-3H3,(H2,13,16)
InChIKeyDDCFNJNENSLGGW-UHFFFAOYSA-N
XLogP0.57
TPSA106.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-6-methylpiperidine-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

1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide
CID 3756181
(2S,5S)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-2,5-dimethylmorpholine
CID 35406723
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-5-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120582142
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]azetidine-3-carboxylic acid
CID 62707263
(2S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]pyrrolidine-2-carboxylic acid
CID 7130999
methyl (2S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]pyrrolidine-2-carboxylate
CID 93038597
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-methylpyrrolidin-2-yl]methanol
CID 102786141
[(2S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]pyrrolidin-2-yl]-piperidin-1-ylmethanone
CID 41009516
1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]ethanone
CID 63846405
ethyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylate
CID 2812656
(3R,6R)-6-methyl-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
CID 95663554
2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-2-yl]acetic acid
CID 61010548

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-6-methylpiperidine-3-carboxamide?
The IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-6-methylpiperidine-3-carboxamide (CID 47319650) is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-6-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-6-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-6-methylpiperidine-3-carboxamide is Cc1noc(C)c1S(=O)(=O)N1CC(C(N)=O)CCC1C.
What is the InChIKey of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-6-methylpiperidine-3-carboxamide?
The InChIKey is DDCFNJNENSLGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4S/c1-7-4-5-10(12(13)16)6-15(7)20(17,18)11-8(2)14-19-9(11)3/h7,10H,4-6H2,1-3H3,(H2,13,16).
What are the key properties of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-6-methylpiperidine-3-carboxamide?
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-6-methylpiperidine-3-carboxamide has a molecular weight of 301.37 g/mol, XLogP of 0.57, 3 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]-6-methylpiperidine-3-carboxamide is sourced from PubChem (CID 47319650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).