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

C19H29N5O4S — CID 55726022

IUPACN-(2-tert-butyl-5-methylpyrazol-3-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide
SMILESCc1cc(NC(=O)C2CCCN(S(=O)(=O)c3c(C)noc3C)C2)n(C(C)(C)C)n1
InChIInChI=1S/C19H29N5O4S/c1-12-10-16(24(21-12)19(4,5)6)20-18(25)15-8-7-9-23(11-15)29(26,27)17-13(2)22-28-14(17)3/h10,15H,7-9,11H2,1-6H3,(H,20,25)
InChIKeyKSBBRWXPAKSALF-UHFFFAOYSA-N
MW423.54 g/mol
LogP2.59
Rot. Bonds4

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

N-(2-tert-butyl-5-methylpyrazol-3-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide (PubChem CID 55726022) has the molecular formula C19H29N5O4S and a molecular weight of 423.54 g/mol. Its IUPAC name is N-(2-tert-butyl-5-methylpyrazol-3-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-tert-butyl-5-methylpyrazol-3-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide
PubChem CID55726022
Molecular FormulaC19H29N5O4S
Molecular Weight423.54 g/mol
Exact Mass423.19
IUPAC NameN-(2-tert-butyl-5-methylpyrazol-3-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide
SMILESCc1cc(NC(=O)C2CCCN(S(=O)(=O)c3c(C)noc3C)C2)n(C(C)(C)C)n1
InChIInChI=1S/C19H29N5O4S/c1-12-10-16(24(21-12)19(4,5)6)20-18(25)15-8-7-9-23(11-15)29(26,27)17-13(2)22-28-14(17)3/h10,15H,7-9,11H2,1-6H3,(H,20,25)
InChIKeyKSBBRWXPAKSALF-UHFFFAOYSA-N
XLogP2.59
TPSA110.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(3,5-dimethylphenyl)piperidine-3-carboxamide
CID 40640936
N-(2-tert-butyl-5-methylpyrazol-3-yl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 55796302
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide
CID 3756181
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-methylbutan-2-yl)piperidine-3-carboxamide
CID 51265069
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(4-fluoro-2-methylphenyl)piperidine-3-carboxamide
CID 24531918
N-(4,5-dimethoxy-2-methylphenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide
CID 24532242
(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylate
CID 7030539
(3R)-N-cycloheptyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide
CID 40502064
(3S)-N-(3-chloro-4-fluorophenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide
CID 27896491
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 51264936
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]piperidine-3-carboxamide
CID 55600209
ethyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylate
CID 2812656

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butyl-5-methylpyrazol-3-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide?
The IUPAC name of N-(2-tert-butyl-5-methylpyrazol-3-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide (CID 55726022) is N-(2-tert-butyl-5-methylpyrazol-3-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(2-tert-butyl-5-methylpyrazol-3-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide?
The canonical SMILES for N-(2-tert-butyl-5-methylpyrazol-3-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide is Cc1cc(NC(=O)C2CCCN(S(=O)(=O)c3c(C)noc3C)C2)n(C(C)(C)C)n1.
What is the InChIKey of N-(2-tert-butyl-5-methylpyrazol-3-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide?
The InChIKey is KSBBRWXPAKSALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O4S/c1-12-10-16(24(21-12)19(4,5)6)20-18(25)15-8-7-9-23(11-15)29(26,27)17-13(2)22-28-14(17)3/h10,15H,7-9,11H2,1-6H3,(H,20,25).
What are the key properties of N-(2-tert-butyl-5-methylpyrazol-3-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide?
N-(2-tert-butyl-5-methylpyrazol-3-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide has a molecular weight of 423.54 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butyl-5-methylpyrazol-3-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide is sourced from PubChem (CID 55726022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).