N-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-1-cyclohexylpiperidine-3-carboxamide

C21H26ClN3O2 — CID 162633742

IUPACN-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-1-cyclohexylpiperidine-3-carboxamide
SMILESO=C(Nc1oncc1-c1ccc(Cl)cc1)C1CCCN(C2CCCCC2)C1
InChIInChI=1S/C21H26ClN3O2/c22-17-10-8-15(9-11-17)19-13-23-27-21(19)24-20(26)16-5-4-12-25(14-16)18-6-2-1-3-7-18/h8-11,13,16,18H,1-7,12,14H2,(H,24,26)
InChIKeyZUTFRTMFXMDXKZ-UHFFFAOYSA-N
MW387.91 g/mol
LogP4.98
Rot. Bonds4

About N-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-1-cyclohexylpiperidine-3-carboxamide

N-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-1-cyclohexylpiperidine-3-carboxamide (PubChem CID 162633742) has the molecular formula C21H26ClN3O2 and a molecular weight of 387.91 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-1-cyclohexylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-1-cyclohexylpiperidine-3-carboxamide
PubChem CID162633742
Molecular FormulaC21H26ClN3O2
Molecular Weight387.91 g/mol
Exact Mass387.17
IUPAC NameN-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-1-cyclohexylpiperidine-3-carboxamide
SMILESO=C(Nc1oncc1-c1ccc(Cl)cc1)C1CCCN(C2CCCCC2)C1
InChIInChI=1S/C21H26ClN3O2/c22-17-10-8-15(9-11-17)19-13-23-27-21(19)24-20(26)16-5-4-12-25(14-16)18-6-2-1-3-7-18/h8-11,13,16,18H,1-7,12,14H2,(H,24,26)
InChIKeyZUTFRTMFXMDXKZ-UHFFFAOYSA-N
XLogP4.98
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.91
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-3-phenylurea
CID 110402542
N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]cyclohexanecarboxamide
CID 112503058
N-(4-chlorophenyl)-1-(4-cyclobutyl-1,4-diazepane-1-carbonyl)azetidine-3-carboxamide
CID 67057839
1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-phenylpiperidine-3-carboxamide
CID 43933224
(3S)-1-(4-chlorobenzoyl)-N-(4-phenylphenyl)piperidine-3-carboxamide
CID 2542955
[(2R)-2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-cyclohexylmethanone
CID 7347777
3-[4-(4-chlorophenyl)-2-methylphenyl]-1-cyclohexylpiperidine
CID 165053868
(3R)-3-N-(4-chlorophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9073266
N-(5-chloro-2-pyridinyl)-1-propan-2-ylpiperidine-3-carboxamide
CID 166193179
N-[5-(4-chloroanilino)-2-pyridinyl]cyclohexanecarboxamide
CID 113033361
N-[2-(4-methoxyphenyl)phenyl]-1-(thian-4-yl)piperidine-3-carboxamide
CID 45228808
N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-(cyclohexanecarbonyl)pyrrolidine-2-carboxamide
CID 42757558

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-1-cyclohexylpiperidine-3-carboxamide?
The IUPAC name of N-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-1-cyclohexylpiperidine-3-carboxamide (CID 162633742) is N-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-1-cyclohexylpiperidine-3-carboxamide.
What is the SMILES notation for N-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-1-cyclohexylpiperidine-3-carboxamide?
The canonical SMILES for N-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-1-cyclohexylpiperidine-3-carboxamide is O=C(Nc1oncc1-c1ccc(Cl)cc1)C1CCCN(C2CCCCC2)C1.
What is the InChIKey of N-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-1-cyclohexylpiperidine-3-carboxamide?
The InChIKey is ZUTFRTMFXMDXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O2/c22-17-10-8-15(9-11-17)19-13-23-27-21(19)24-20(26)16-5-4-12-25(14-16)18-6-2-1-3-7-18/h8-11,13,16,18H,1-7,12,14H2,(H,24,26).
What are the key properties of N-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-1-cyclohexylpiperidine-3-carboxamide?
N-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-1-cyclohexylpiperidine-3-carboxamide has a molecular weight of 387.91 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-1-cyclohexylpiperidine-3-carboxamide is sourced from PubChem (CID 162633742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).