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

C23H30N2O2 — CID 46087237

IUPAC[5-(4-cyclohexylphenyl)-1,2-oxazol-3-yl]-(2-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)c1cc(-c2ccc(C3CCCCC3)cc2)on1
InChIInChI=1S/C23H30N2O2/c1-2-20-10-6-7-15-25(20)23(26)21-16-22(27-24-21)19-13-11-18(12-14-19)17-8-4-3-5-9-17/h11-14,16-17,20H,2-10,15H2,1H3
InChIKeyDARHLJKWRDVMQR-UHFFFAOYSA-N
MW366.50 g/mol
LogP5.79
Rot. Bonds4

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

[5-(4-cyclohexylphenyl)-1,2-oxazol-3-yl]-(2-ethylpiperidin-1-yl)methanone (PubChem CID 46087237) has the molecular formula C23H30N2O2 and a molecular weight of 366.50 g/mol. Its IUPAC name is [5-(4-cyclohexylphenyl)-1,2-oxazol-3-yl]-(2-ethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-(4-cyclohexylphenyl)-1,2-oxazol-3-yl]-(2-ethylpiperidin-1-yl)methanone
PubChem CID46087237
Molecular FormulaC23H30N2O2
Molecular Weight366.50 g/mol
Exact Mass366.23
IUPAC Name[5-(4-cyclohexylphenyl)-1,2-oxazol-3-yl]-(2-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)c1cc(-c2ccc(C3CCCCC3)cc2)on1
InChIInChI=1S/C23H30N2O2/c1-2-20-10-6-7-15-25(20)23(26)21-16-22(27-24-21)19-13-11-18(12-14-19)17-8-4-3-5-9-17/h11-14,16-17,20H,2-10,15H2,1H3
InChIKeyDARHLJKWRDVMQR-UHFFFAOYSA-N
XLogP5.79
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.50
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(4-bromophenyl)-1,2-oxazol-3-yl]-(2-ethylpiperidin-1-yl)methanone
CID 17252757
[(2R)-2-ethylpiperidin-1-yl]-(5-naphthalen-2-yl-1,2-oxazol-3-yl)methanone
CID 92761255
(2-ethylpiperidin-1-yl)-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone
CID 46087375
[5-(4-cyclohexylphenyl)-1,2-oxazol-3-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 92758389
[2-(aminomethyl)piperidin-1-yl]-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methanone;hydrochloride
CID 119468564
1-(2-ethylpiperidin-1-yl)-2-[5-(4-methylphenyl)-1,2-oxazol-3-yl]ethanone
CID 16878406
[2-(hydroxymethyl)pyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 61411316
(2-methylpiperidin-1-yl)-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 3158156
[6-[(2S)-2-ethylpiperidine-1-carbonyl]-2-pyridinyl]-[(2S)-2-ethylpiperidin-1-yl]methanone
CID 40585097
[2-(4-fluorophenyl)piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 70770427
3-amino-N-[[1-(5-pyridin-4-yl-1,2-oxazole-3-carbonyl)piperidin-2-yl]methyl]propanamide
CID 120578645
[4-[(2S)-2-ethylpiperidine-1-carbonyl]phenyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1087323

Frequently Asked Questions

What is the IUPAC name of [5-(4-cyclohexylphenyl)-1,2-oxazol-3-yl]-(2-ethylpiperidin-1-yl)methanone?
The IUPAC name of [5-(4-cyclohexylphenyl)-1,2-oxazol-3-yl]-(2-ethylpiperidin-1-yl)methanone (CID 46087237) is [5-(4-cyclohexylphenyl)-1,2-oxazol-3-yl]-(2-ethylpiperidin-1-yl)methanone.
What is the SMILES notation for [5-(4-cyclohexylphenyl)-1,2-oxazol-3-yl]-(2-ethylpiperidin-1-yl)methanone?
The canonical SMILES for [5-(4-cyclohexylphenyl)-1,2-oxazol-3-yl]-(2-ethylpiperidin-1-yl)methanone is CCC1CCCCN1C(=O)c1cc(-c2ccc(C3CCCCC3)cc2)on1.
What is the InChIKey of [5-(4-cyclohexylphenyl)-1,2-oxazol-3-yl]-(2-ethylpiperidin-1-yl)methanone?
The InChIKey is DARHLJKWRDVMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-2-20-10-6-7-15-25(20)23(26)21-16-22(27-24-21)19-13-11-18(12-14-19)17-8-4-3-5-9-17/h11-14,16-17,20H,2-10,15H2,1H3.
What are the key properties of [5-(4-cyclohexylphenyl)-1,2-oxazol-3-yl]-(2-ethylpiperidin-1-yl)methanone?
[5-(4-cyclohexylphenyl)-1,2-oxazol-3-yl]-(2-ethylpiperidin-1-yl)methanone has a molecular weight of 366.50 g/mol, XLogP of 5.79, 4 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]-(2-ethylpiperidin-1-yl)methanone is sourced from PubChem (CID 46087237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).