[5-(4-cyclohexylphenyl)-1,2-oxazol-3-yl]-[(3S)-3-methylpiperidin-1-yl]methanone

C22H28N2O2 — CID 92758389

IUPAC[5-(4-cyclohexylphenyl)-1,2-oxazol-3-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
SMILESC[C@H]1CCCN(C(=O)c2cc(-c3ccc(C4CCCCC4)cc3)on2)C1
InChIInChI=1S/C22H28N2O2/c1-16-6-5-13-24(15-16)22(25)20-14-21(26-23-20)19-11-9-18(10-12-19)17-7-3-2-4-8-17/h9-12,14,16-17H,2-8,13,15H2,1H3/t16-/m0/s1
InChIKeyIZWVSMJMRXTTQC-INIZCTEOSA-N
MW352.48 g/mol
LogP5.26
Rot. Bonds3

About [5-(4-cyclohexylphenyl)-1,2-oxazol-3-yl]-[(3S)-3-methylpiperidin-1-yl]methanone

[5-(4-cyclohexylphenyl)-1,2-oxazol-3-yl]-[(3S)-3-methylpiperidin-1-yl]methanone (PubChem CID 92758389) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is [5-(4-cyclohexylphenyl)-1,2-oxazol-3-yl]-[(3S)-3-methylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-(4-cyclohexylphenyl)-1,2-oxazol-3-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
PubChem CID92758389
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name[5-(4-cyclohexylphenyl)-1,2-oxazol-3-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
SMILESC[C@H]1CCCN(C(=O)c2cc(-c3ccc(C4CCCCC4)cc3)on2)C1
InChIInChI=1S/C22H28N2O2/c1-16-6-5-13-24(15-16)22(25)20-14-21(26-23-20)19-11-9-18(10-12-19)17-7-3-2-4-8-17/h9-12,14,16-17H,2-8,13,15H2,1H3/t16-/m0/s1
InChIKeyIZWVSMJMRXTTQC-INIZCTEOSA-N
XLogP5.26
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.48
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [5-(4-cyclohexylphenyl)-1,2-oxazol-3-yl]-[(3S)-3-methylpiperidin-1-yl]methanone with MolForge

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Related Compounds

[5-(4-cyclohexylphenyl)-1,2-oxazol-3-yl]-(2-ethylpiperidin-1-yl)methanone
CID 46087237
1-[5-(4-methylphenyl)-1,2-oxazole-3-carbonyl]-N-propan-2-ylpiperidine-3-carboxamide
CID 91953801
[5-(4-cyclohexylphenyl)thiophen-2-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 92760451
(3S)-1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxylic acid
CID 119113731
[5-(4-methylphenyl)-1,2-oxazol-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 1093778
(3-hydroxypiperidin-1-yl)-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone
CID 110899930
azepan-1-yl-[5-(4-hydroxyphenyl)-1,2-oxazol-3-yl]methanone
CID 135573124
4-[5-(4-cyclohexylphenyl)-1,2-oxazol-3-yl]benzoic acid
CID 58428392
[5-(furan-2-yl)-1,2-oxazol-3-yl]-[3-(4-methoxyphenyl)azepan-1-yl]methanone
CID 121146878
[3-(4-methylphenyl)-1,2-oxazol-5-yl]-(3-methylpiperidin-1-yl)methanone
CID 86980129
(4-cyclohexylphenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 86877330
2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-1-(3-methylpiperidin-1-yl)ethanone
CID 16878575

Frequently Asked Questions

What is the IUPAC name of [5-(4-cyclohexylphenyl)-1,2-oxazol-3-yl]-[(3S)-3-methylpiperidin-1-yl]methanone?
The IUPAC name of [5-(4-cyclohexylphenyl)-1,2-oxazol-3-yl]-[(3S)-3-methylpiperidin-1-yl]methanone (CID 92758389) is [5-(4-cyclohexylphenyl)-1,2-oxazol-3-yl]-[(3S)-3-methylpiperidin-1-yl]methanone.
What is the SMILES notation for [5-(4-cyclohexylphenyl)-1,2-oxazol-3-yl]-[(3S)-3-methylpiperidin-1-yl]methanone?
The canonical SMILES for [5-(4-cyclohexylphenyl)-1,2-oxazol-3-yl]-[(3S)-3-methylpiperidin-1-yl]methanone is C[C@H]1CCCN(C(=O)c2cc(-c3ccc(C4CCCCC4)cc3)on2)C1.
What is the InChIKey of [5-(4-cyclohexylphenyl)-1,2-oxazol-3-yl]-[(3S)-3-methylpiperidin-1-yl]methanone?
The InChIKey is IZWVSMJMRXTTQC-INIZCTEOSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-16-6-5-13-24(15-16)22(25)20-14-21(26-23-20)19-11-9-18(10-12-19)17-7-3-2-4-8-17/h9-12,14,16-17H,2-8,13,15H2,1H3/t16-/m0/s1.
What are the key properties of [5-(4-cyclohexylphenyl)-1,2-oxazol-3-yl]-[(3S)-3-methylpiperidin-1-yl]methanone?
[5-(4-cyclohexylphenyl)-1,2-oxazol-3-yl]-[(3S)-3-methylpiperidin-1-yl]methanone has a molecular weight of 352.48 g/mol, XLogP of 5.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-cyclohexylphenyl)-1,2-oxazol-3-yl]-[(3S)-3-methylpiperidin-1-yl]methanone is sourced from PubChem (CID 92758389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).