1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-N-propan-2-yltriazole-4-carboxamide

C16H24N6O4S — CID 45206580

IUPAC1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-N-propan-2-yltriazole-4-carboxamide
SMILESCc1noc(C)c1S(=O)(=O)N1CCCC(n2cc(C(=O)NC(C)C)nn2)C1
InChIInChI=1S/C16H24N6O4S/c1-10(2)17-16(23)14-9-22(20-18-14)13-6-5-7-21(8-13)27(24,25)15-11(3)19-26-12(15)4/h9-10,13H,5-8H2,1-4H3,(H,17,23)
InChIKeyQJFUIKODRNADMA-UHFFFAOYSA-N
MW396.47 g/mol
LogP1.05
Rot. Bonds5

About 1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-N-propan-2-yltriazole-4-carboxamide

1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-N-propan-2-yltriazole-4-carboxamide (PubChem CID 45206580) has the molecular formula C16H24N6O4S and a molecular weight of 396.47 g/mol. Its IUPAC name is 1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-N-propan-2-yltriazole-4-carboxamide.

Molecular Properties

Compound Name1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-N-propan-2-yltriazole-4-carboxamide
PubChem CID45206580
Molecular FormulaC16H24N6O4S
Molecular Weight396.47 g/mol
Exact Mass396.16
IUPAC Name1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-N-propan-2-yltriazole-4-carboxamide
SMILESCc1noc(C)c1S(=O)(=O)N1CCCC(n2cc(C(=O)NC(C)C)nn2)C1
InChIInChI=1S/C16H24N6O4S/c1-10(2)17-16(23)14-9-22(20-18-14)13-6-5-7-21(8-13)27(24,25)15-11(3)19-26-12(15)4/h9-10,13H,5-8H2,1-4H3,(H,17,23)
InChIKeyQJFUIKODRNADMA-UHFFFAOYSA-N
XLogP1.05
TPSA123.22 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-N-(2-methylpropyl)triazole-4-carboxamide
CID 45190448
1-[(3R)-1-(3,4-dimethoxyphenyl)sulfonylpiperidin-3-yl]-N-propan-2-yltriazole-4-carboxamide
CID 26337547
1-[2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-2-yl]ethyl]-N-propan-2-yltriazole-4-carboxamide
CID 45181529
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide
CID 3756181
N-propan-2-yl-1-[(3S)-1-propylpiperidin-3-yl]triazole-4-carboxamide
CID 26343423
N-propan-2-yl-1-[(3R)-1-propylpiperidin-3-yl]triazole-4-carboxamide
CID 26343421
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[1-(4-methoxyphenyl)ethyl]-N-methylpiperidine-3-carboxamide
CID 55560315
2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-propan-2-ylpropanamide
CID 53118745
(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylate
CID 7030539
(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(3,5-dimethylphenyl)piperidine-3-carboxamide
CID 40640936
N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]methyl]propan-2-amine
CID 63241787
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]methanol
CID 5185428

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-N-propan-2-yltriazole-4-carboxamide?
The IUPAC name of 1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-N-propan-2-yltriazole-4-carboxamide (CID 45206580) is 1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-N-propan-2-yltriazole-4-carboxamide.
What is the SMILES notation for 1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-N-propan-2-yltriazole-4-carboxamide?
The canonical SMILES for 1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-N-propan-2-yltriazole-4-carboxamide is Cc1noc(C)c1S(=O)(=O)N1CCCC(n2cc(C(=O)NC(C)C)nn2)C1.
What is the InChIKey of 1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-N-propan-2-yltriazole-4-carboxamide?
The InChIKey is QJFUIKODRNADMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O4S/c1-10(2)17-16(23)14-9-22(20-18-14)13-6-5-7-21(8-13)27(24,25)15-11(3)19-26-12(15)4/h9-10,13H,5-8H2,1-4H3,(H,17,23).
What are the key properties of 1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-N-propan-2-yltriazole-4-carboxamide?
1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-N-propan-2-yltriazole-4-carboxamide has a molecular weight of 396.47 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-N-propan-2-yltriazole-4-carboxamide is sourced from PubChem (CID 45206580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).