N-cyclohexyl-3-[(3S)-1-pyridin-3-ylsulfonylpiperidin-3-yl]-1,2-oxazole-5-carboxamide

C20H26N4O4S — CID 92570736

IUPACN-cyclohexyl-3-[(3S)-1-pyridin-3-ylsulfonylpiperidin-3-yl]-1,2-oxazole-5-carboxamide
SMILESO=C(NC1CCCCC1)c1cc([C@H]2CCCN(S(=O)(=O)c3cccnc3)C2)no1
InChIInChI=1S/C20H26N4O4S/c25-20(22-16-7-2-1-3-8-16)19-12-18(23-28-19)15-6-5-11-24(14-15)29(26,27)17-9-4-10-21-13-17/h4,9-10,12-13,15-16H,1-3,5-8,11,14H2,(H,22,25)/t15-/m0/s1
InChIKeyNMNXHVCDQQOPOP-HNNXBMFYSA-N
MW418.52 g/mol
LogP2.70
Rot. Bonds5

About N-cyclohexyl-3-[(3S)-1-pyridin-3-ylsulfonylpiperidin-3-yl]-1,2-oxazole-5-carboxamide

N-cyclohexyl-3-[(3S)-1-pyridin-3-ylsulfonylpiperidin-3-yl]-1,2-oxazole-5-carboxamide (PubChem CID 92570736) has the molecular formula C20H26N4O4S and a molecular weight of 418.52 g/mol. Its IUPAC name is N-cyclohexyl-3-[(3S)-1-pyridin-3-ylsulfonylpiperidin-3-yl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-3-[(3S)-1-pyridin-3-ylsulfonylpiperidin-3-yl]-1,2-oxazole-5-carboxamide
PubChem CID92570736
Molecular FormulaC20H26N4O4S
Molecular Weight418.52 g/mol
Exact Mass418.17
IUPAC NameN-cyclohexyl-3-[(3S)-1-pyridin-3-ylsulfonylpiperidin-3-yl]-1,2-oxazole-5-carboxamide
SMILESO=C(NC1CCCCC1)c1cc([C@H]2CCCN(S(=O)(=O)c3cccnc3)C2)no1
InChIInChI=1S/C20H26N4O4S/c25-20(22-16-7-2-1-3-8-16)19-12-18(23-28-19)15-6-5-11-24(14-15)29(26,27)17-9-4-10-21-13-17/h4,9-10,12-13,15-16H,1-3,5-8,11,14H2,(H,22,25)/t15-/m0/s1
InChIKeyNMNXHVCDQQOPOP-HNNXBMFYSA-N
XLogP2.70
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclohexyl-3-[(3S)-1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 92590162
N-(cyclohexylmethyl)-3-[(3S)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 92558001
N-cyclohexyl-3-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 125021653
N-cycloheptyl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 4137817
N-cyclohexyl-3-[(3R)-1-[(3-methylphenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 124999270
N-cyclohexyl-3-[(3S)-1-(quinolin-4-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 92576546
2-methyl-6-[(3R)-1-pyridin-3-ylsulfonylpiperidin-3-yl]pyrazine
CID 125024782
3-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-N-[(3R)-oxan-3-yl]-1,2-oxazole-5-carboxamide
CID 92569564
N-cyclohexyl-3-[(3S)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 95811596
N-cyclopropyl-3-[(3R)-1-(quinolin-6-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 92572171
N-cyclohexyl-3-[(3R)-1-[(3-methylsulfanylphenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 124961712
methyl 2-[3-(1-pyridin-3-ylsulfonylpiperidin-3-yl)phenyl]acetate
CID 68848076

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[(3S)-1-pyridin-3-ylsulfonylpiperidin-3-yl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-cyclohexyl-3-[(3S)-1-pyridin-3-ylsulfonylpiperidin-3-yl]-1,2-oxazole-5-carboxamide (CID 92570736) is N-cyclohexyl-3-[(3S)-1-pyridin-3-ylsulfonylpiperidin-3-yl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-cyclohexyl-3-[(3S)-1-pyridin-3-ylsulfonylpiperidin-3-yl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-cyclohexyl-3-[(3S)-1-pyridin-3-ylsulfonylpiperidin-3-yl]-1,2-oxazole-5-carboxamide is O=C(NC1CCCCC1)c1cc([C@H]2CCCN(S(=O)(=O)c3cccnc3)C2)no1.
What is the InChIKey of N-cyclohexyl-3-[(3S)-1-pyridin-3-ylsulfonylpiperidin-3-yl]-1,2-oxazole-5-carboxamide?
The InChIKey is NMNXHVCDQQOPOP-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H26N4O4S/c25-20(22-16-7-2-1-3-8-16)19-12-18(23-28-19)15-6-5-11-24(14-15)29(26,27)17-9-4-10-21-13-17/h4,9-10,12-13,15-16H,1-3,5-8,11,14H2,(H,22,25)/t15-/m0/s1.
What are the key properties of N-cyclohexyl-3-[(3S)-1-pyridin-3-ylsulfonylpiperidin-3-yl]-1,2-oxazole-5-carboxamide?
N-cyclohexyl-3-[(3S)-1-pyridin-3-ylsulfonylpiperidin-3-yl]-1,2-oxazole-5-carboxamide has a molecular weight of 418.52 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[(3S)-1-pyridin-3-ylsulfonylpiperidin-3-yl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 92570736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).