N-(cyclohexylmethyl)-3-[(3S)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1,2-oxazole-5-carboxamide

C23H31N3O4S — CID 92558001

IUPACN-(cyclohexylmethyl)-3-[(3S)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1,2-oxazole-5-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC[C@H](c3cc(C(=O)NCC4CCCCC4)on3)C2)cc1
InChIInChI=1S/C23H31N3O4S/c1-17-9-11-20(12-10-17)31(28,29)26-13-5-8-19(16-26)21-14-22(30-25-21)23(27)24-15-18-6-3-2-4-7-18/h9-12,14,18-19H,2-8,13,15-16H2,1H3,(H,24,27)/t19-/m0/s1
InChIKeyQSCYEZYXALKFOR-IBGZPJMESA-N
MW445.59 g/mol
LogP3.86
Rot. Bonds6

About N-(cyclohexylmethyl)-3-[(3S)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1,2-oxazole-5-carboxamide

N-(cyclohexylmethyl)-3-[(3S)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1,2-oxazole-5-carboxamide (PubChem CID 92558001) has the molecular formula C23H31N3O4S and a molecular weight of 445.59 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-3-[(3S)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-3-[(3S)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1,2-oxazole-5-carboxamide
PubChem CID92558001
Molecular FormulaC23H31N3O4S
Molecular Weight445.59 g/mol
Exact Mass445.20
IUPAC NameN-(cyclohexylmethyl)-3-[(3S)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1,2-oxazole-5-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC[C@H](c3cc(C(=O)NCC4CCCCC4)on3)C2)cc1
InChIInChI=1S/C23H31N3O4S/c1-17-9-11-20(12-10-17)31(28,29)26-13-5-8-19(16-26)21-14-22(30-25-21)23(27)24-15-18-6-3-2-4-7-18/h9-12,14,18-19H,2-8,13,15-16H2,1H3,(H,24,27)/t19-/m0/s1
InChIKeyQSCYEZYXALKFOR-IBGZPJMESA-N
XLogP3.86
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.59
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-cyclohexyl-3-[(3S)-1-pyridin-3-ylsulfonylpiperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 92570736
N-(cyclohexylmethyl)-3-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 92577417
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CID 2666739
N-(cyclohexylmethyl)-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
CID 4811437
[(3R)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]methanol
CID 40544720
[1-(4-methylphenyl)sulfonylpiperidin-3-yl]methanol
CID 3318640
3-[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]-N-(pyridin-4-ylmethyl)-1,2-oxazole-5-carboxamide
CID 92578159
N-[[1-(4-methylphenyl)sulfonylpiperidin-3-yl]methyl]propan-1-amine
CID 63879807
[3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1,2-oxazol-5-yl]-morpholin-4-ylmethanone
CID 92557995
N-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 16863030
3-[1-(cyclohexanecarbonyl)piperidin-3-yl]-N-(2-methoxy-5-methylphenyl)-1,2-oxazole-5-carboxamide
CID 110229085

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-3-[(3S)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-3-[(3S)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1,2-oxazole-5-carboxamide (CID 92558001) is N-(cyclohexylmethyl)-3-[(3S)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-3-[(3S)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-3-[(3S)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1,2-oxazole-5-carboxamide is Cc1ccc(S(=O)(=O)N2CCC[C@H](c3cc(C(=O)NCC4CCCCC4)on3)C2)cc1.
What is the InChIKey of N-(cyclohexylmethyl)-3-[(3S)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1,2-oxazole-5-carboxamide?
The InChIKey is QSCYEZYXALKFOR-IBGZPJMESA-N. The full InChI is InChI=1S/C23H31N3O4S/c1-17-9-11-20(12-10-17)31(28,29)26-13-5-8-19(16-26)21-14-22(30-25-21)23(27)24-15-18-6-3-2-4-7-18/h9-12,14,18-19H,2-8,13,15-16H2,1H3,(H,24,27)/t19-/m0/s1.
What are the key properties of N-(cyclohexylmethyl)-3-[(3S)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1,2-oxazole-5-carboxamide?
N-(cyclohexylmethyl)-3-[(3S)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1,2-oxazole-5-carboxamide has a molecular weight of 445.59 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-3-[(3S)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 92558001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).