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

C20H29N5O4S — CID 92590162

IUPACN-cyclohexyl-3-[(3S)-1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-3-yl]-1,2-oxazole-5-carboxamide
SMILESCCn1cc(S(=O)(=O)N2CCC[C@H](c3cc(C(=O)NC4CCCCC4)on3)C2)cn1
InChIInChI=1S/C20H29N5O4S/c1-2-24-14-17(12-21-24)30(27,28)25-10-6-7-15(13-25)18-11-19(29-23-18)20(26)22-16-8-4-3-5-9-16/h11-12,14-16H,2-10,13H2,1H3,(H,22,26)/t15-/m0/s1
InChIKeyYZHAUWWVERYNDX-HNNXBMFYSA-N
MW435.55 g/mol
LogP2.52
Rot. Bonds6

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

N-cyclohexyl-3-[(3S)-1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-3-yl]-1,2-oxazole-5-carboxamide (PubChem CID 92590162) has the molecular formula C20H29N5O4S and a molecular weight of 435.55 g/mol. Its IUPAC name is N-cyclohexyl-3-[(3S)-1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-3-yl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-3-[(3S)-1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-3-yl]-1,2-oxazole-5-carboxamide
PubChem CID92590162
Molecular FormulaC20H29N5O4S
Molecular Weight435.55 g/mol
Exact Mass435.19
IUPAC NameN-cyclohexyl-3-[(3S)-1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-3-yl]-1,2-oxazole-5-carboxamide
SMILESCCn1cc(S(=O)(=O)N2CCC[C@H](c3cc(C(=O)NC4CCCCC4)on3)C2)cn1
InChIInChI=1S/C20H29N5O4S/c1-2-24-14-17(12-21-24)30(27,28)25-10-6-7-15(13-25)18-11-19(29-23-18)20(26)22-16-8-4-3-5-9-16/h11-12,14-16H,2-10,13H2,1H3,(H,22,26)/t15-/m0/s1
InChIKeyYZHAUWWVERYNDX-HNNXBMFYSA-N
XLogP2.52
TPSA110.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-cyclohexyl-3-[(3S)-1-pyridin-3-ylsulfonylpiperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 92570736
N-(cyclohexylmethyl)-3-[(3S)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 92558001
3-[(3R)-1-benzylpiperidin-3-yl]-N-cyclohexyl-1,2-oxazole-5-carboxamide
CID 92574817
N-cyclohexyl-3-[(3R)-1-[(3-methylphenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide
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2-[2-[1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-3-yl]imidazol-1-yl]acetamide
CID 72852742
N-cyclohexyl-3-[(3R)-1-[(3-methylsulfanylphenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 124961712
N-cyclohexyl-3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 110252063
N-cyclohexyl-3-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 125021653
N-cyclopropyl-3-[1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 110228950
N-cyclopropyl-3-[(3S)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 92568130
2-[(3R)-1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-3-yl]-5-(5-methylthiophen-2-yl)-1,3,4-oxadiazole
CID 92590169
N-cyclohexyl-3-[(3S)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 95811596

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[(3S)-1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-3-yl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-cyclohexyl-3-[(3S)-1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-3-yl]-1,2-oxazole-5-carboxamide (CID 92590162) is N-cyclohexyl-3-[(3S)-1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-3-yl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-cyclohexyl-3-[(3S)-1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-3-yl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-cyclohexyl-3-[(3S)-1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-3-yl]-1,2-oxazole-5-carboxamide is CCn1cc(S(=O)(=O)N2CCC[C@H](c3cc(C(=O)NC4CCCCC4)on3)C2)cn1.
What is the InChIKey of N-cyclohexyl-3-[(3S)-1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-3-yl]-1,2-oxazole-5-carboxamide?
The InChIKey is YZHAUWWVERYNDX-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H29N5O4S/c1-2-24-14-17(12-21-24)30(27,28)25-10-6-7-15(13-25)18-11-19(29-23-18)20(26)22-16-8-4-3-5-9-16/h11-12,14-16H,2-10,13H2,1H3,(H,22,26)/t15-/m0/s1.
What are the key properties of N-cyclohexyl-3-[(3S)-1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-3-yl]-1,2-oxazole-5-carboxamide?
N-cyclohexyl-3-[(3S)-1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-3-yl]-1,2-oxazole-5-carboxamide has a molecular weight of 435.55 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[(3S)-1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-3-yl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 92590162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).