N-cyclohexyl-3-[(3R)-1-[(3-methylsulfanylphenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide

C23H31N3O2S — CID 124961712

IUPACN-cyclohexyl-3-[(3R)-1-[(3-methylsulfanylphenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide
SMILESCSc1cccc(CN2CCC[C@@H](c3cc(C(=O)NC4CCCCC4)on3)C2)c1
InChIInChI=1S/C23H31N3O2S/c1-29-20-11-5-7-17(13-20)15-26-12-6-8-18(16-26)21-14-22(28-25-21)23(27)24-19-9-3-2-4-10-19/h5,7,11,13-14,18-19H,2-4,6,8-10,12,15-16H2,1H3,(H,24,27)/t18-/m1/s1
InChIKeyHDPDVTJHWGSFQU-GOSISDBHSA-N
MW413.59 g/mol
LogP4.84
Rot. Bonds6

About N-cyclohexyl-3-[(3R)-1-[(3-methylsulfanylphenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide

N-cyclohexyl-3-[(3R)-1-[(3-methylsulfanylphenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide (PubChem CID 124961712) has the molecular formula C23H31N3O2S and a molecular weight of 413.59 g/mol. Its IUPAC name is N-cyclohexyl-3-[(3R)-1-[(3-methylsulfanylphenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-3-[(3R)-1-[(3-methylsulfanylphenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide
PubChem CID124961712
Molecular FormulaC23H31N3O2S
Molecular Weight413.59 g/mol
Exact Mass413.21
IUPAC NameN-cyclohexyl-3-[(3R)-1-[(3-methylsulfanylphenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide
SMILESCSc1cccc(CN2CCC[C@@H](c3cc(C(=O)NC4CCCCC4)on3)C2)c1
InChIInChI=1S/C23H31N3O2S/c1-29-20-11-5-7-17(13-20)15-26-12-6-8-18(16-26)21-14-22(28-25-21)23(27)24-19-9-3-2-4-10-19/h5,7,11,13-14,18-19H,2-4,6,8-10,12,15-16H2,1H3,(H,24,27)/t18-/m1/s1
InChIKeyHDPDVTJHWGSFQU-GOSISDBHSA-N
XLogP4.84
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.59
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-3-[(3R)-1-[(3-methylphenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 124999270
3-[(3R)-1-benzylpiperidin-3-yl]-N-cyclohexyl-1,2-oxazole-5-carboxamide
CID 92574817
N-cyclohexyl-3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 110252063
N-cyclopropyl-3-[(3S)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 92568130
N-cyclopropyl-3-[1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 110228950
N-(1-benzylpiperidin-4-yl)-3-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 110089253
N-cyclohexyl-3-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 125021653
N-cyclohexyl-3-[(3S)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 95811596
N-cyclohexyl-3-[(3S)-1-(quinolin-4-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 92576546
N-cyclopropyl-3-[(3R)-1-(quinolin-6-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 92572171
3-[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-N-propan-2-yl-1,2-oxazole-5-carboxamide
CID 95813060
N-cyclopropyl-3-[(3S)-1-[(8-methoxyquinolin-2-yl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 92601009

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[(3R)-1-[(3-methylsulfanylphenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-cyclohexyl-3-[(3R)-1-[(3-methylsulfanylphenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide (CID 124961712) is N-cyclohexyl-3-[(3R)-1-[(3-methylsulfanylphenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-cyclohexyl-3-[(3R)-1-[(3-methylsulfanylphenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-cyclohexyl-3-[(3R)-1-[(3-methylsulfanylphenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide is CSc1cccc(CN2CCC[C@@H](c3cc(C(=O)NC4CCCCC4)on3)C2)c1.
What is the InChIKey of N-cyclohexyl-3-[(3R)-1-[(3-methylsulfanylphenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide?
The InChIKey is HDPDVTJHWGSFQU-GOSISDBHSA-N. The full InChI is InChI=1S/C23H31N3O2S/c1-29-20-11-5-7-17(13-20)15-26-12-6-8-18(16-26)21-14-22(28-25-21)23(27)24-19-9-3-2-4-10-19/h5,7,11,13-14,18-19H,2-4,6,8-10,12,15-16H2,1H3,(H,24,27)/t18-/m1/s1.
What are the key properties of N-cyclohexyl-3-[(3R)-1-[(3-methylsulfanylphenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide?
N-cyclohexyl-3-[(3R)-1-[(3-methylsulfanylphenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide has a molecular weight of 413.59 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[(3R)-1-[(3-methylsulfanylphenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 124961712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).