[(2R)-2-ethylpiperidin-1-yl]-(5-naphthalen-2-yl-1,2-oxazol-3-yl)methanone

C21H22N2O2 — CID 92761255

IUPAC[(2R)-2-ethylpiperidin-1-yl]-(5-naphthalen-2-yl-1,2-oxazol-3-yl)methanone
SMILESCC[C@@H]1CCCCN1C(=O)c1cc(-c2ccc3ccccc3c2)on1
InChIInChI=1S/C21H22N2O2/c1-2-18-9-5-6-12-23(18)21(24)19-14-20(25-22-19)17-11-10-15-7-3-4-8-16(15)13-17/h3-4,7-8,10-11,13-14,18H,2,5-6,9,12H2,1H3/t18-/m1/s1
InChIKeyQTFAXZDXFLVEAR-GOSISDBHSA-N
MW334.42 g/mol
LogP4.90
Rot. Bonds3

About [(2R)-2-ethylpiperidin-1-yl]-(5-naphthalen-2-yl-1,2-oxazol-3-yl)methanone

[(2R)-2-ethylpiperidin-1-yl]-(5-naphthalen-2-yl-1,2-oxazol-3-yl)methanone (PubChem CID 92761255) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is [(2R)-2-ethylpiperidin-1-yl]-(5-naphthalen-2-yl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-ethylpiperidin-1-yl]-(5-naphthalen-2-yl-1,2-oxazol-3-yl)methanone
PubChem CID92761255
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name[(2R)-2-ethylpiperidin-1-yl]-(5-naphthalen-2-yl-1,2-oxazol-3-yl)methanone
SMILESCC[C@@H]1CCCCN1C(=O)c1cc(-c2ccc3ccccc3c2)on1
InChIInChI=1S/C21H22N2O2/c1-2-18-9-5-6-12-23(18)21(24)19-14-20(25-22-19)17-11-10-15-7-3-4-8-16(15)13-17/h3-4,7-8,10-11,13-14,18H,2,5-6,9,12H2,1H3/t18-/m1/s1
InChIKeyQTFAXZDXFLVEAR-GOSISDBHSA-N
XLogP4.90
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(2R)-2-ethylpiperidin-1-yl]-(5-naphthalen-2-yl-1,2-oxazol-3-yl)methanone with MolForge

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Related Compounds

[5-(4-bromophenyl)-1,2-oxazol-3-yl]-(2-ethylpiperidin-1-yl)methanone
CID 17252757
[5-(4-cyclohexylphenyl)-1,2-oxazol-3-yl]-(2-ethylpiperidin-1-yl)methanone
CID 46087237
(2-ethylpiperidin-1-yl)-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone
CID 46087375
azocan-1-yl-(5-naphthalen-2-yl-1,2-oxazol-3-yl)methanone
CID 46087244
[2-(hydroxymethyl)pyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 61411316
[6-[(2S)-2-ethylpiperidine-1-carbonyl]-2-pyridinyl]-[(2S)-2-ethylpiperidin-1-yl]methanone
CID 40585097
(2-methylpiperidin-1-yl)-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 3158156
[2-(aminomethyl)piperidin-1-yl]-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methanone;hydrochloride
CID 119468564
(2-ethylpiperidin-1-yl)-(3-hydroxynaphthalen-2-yl)methanone
CID 43403986
1-(2-ethylpiperidin-1-yl)-2-[5-(4-methylphenyl)-1,2-oxazol-3-yl]ethanone
CID 16878406
(6-anilino-2-methylpyrimidin-4-yl)-(2-ethylpiperidin-1-yl)methanone
CID 112847218
(2-ethylazepan-1-yl)-(2-hydroxyphenyl)methanone
CID 112692526

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-ethylpiperidin-1-yl]-(5-naphthalen-2-yl-1,2-oxazol-3-yl)methanone?
The IUPAC name of [(2R)-2-ethylpiperidin-1-yl]-(5-naphthalen-2-yl-1,2-oxazol-3-yl)methanone (CID 92761255) is [(2R)-2-ethylpiperidin-1-yl]-(5-naphthalen-2-yl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for [(2R)-2-ethylpiperidin-1-yl]-(5-naphthalen-2-yl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for [(2R)-2-ethylpiperidin-1-yl]-(5-naphthalen-2-yl-1,2-oxazol-3-yl)methanone is CC[C@@H]1CCCCN1C(=O)c1cc(-c2ccc3ccccc3c2)on1.
What is the InChIKey of [(2R)-2-ethylpiperidin-1-yl]-(5-naphthalen-2-yl-1,2-oxazol-3-yl)methanone?
The InChIKey is QTFAXZDXFLVEAR-GOSISDBHSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-2-18-9-5-6-12-23(18)21(24)19-14-20(25-22-19)17-11-10-15-7-3-4-8-16(15)13-17/h3-4,7-8,10-11,13-14,18H,2,5-6,9,12H2,1H3/t18-/m1/s1.
What are the key properties of [(2R)-2-ethylpiperidin-1-yl]-(5-naphthalen-2-yl-1,2-oxazol-3-yl)methanone?
[(2R)-2-ethylpiperidin-1-yl]-(5-naphthalen-2-yl-1,2-oxazol-3-yl)methanone has a molecular weight of 334.42 g/mol, XLogP of 4.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-ethylpiperidin-1-yl]-(5-naphthalen-2-yl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 92761255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).