2-(5-tert-butyl-1,2-oxazol-3-yl)-1-piperidin-2-ylethanone;hydrochloride

C14H23ClN2O2 — CID 160809244

IUPAC2-(5-tert-butyl-1,2-oxazol-3-yl)-1-piperidin-2-ylethanone;hydrochloride
SMILESCC(C)(C)c1cc(CC(=O)C2CCCCN2)no1.Cl
InChIInChI=1S/C14H22N2O2.ClH/c1-14(2,3)13-9-10(16-18-13)8-12(17)11-6-4-5-7-15-11;/h9,11,15H,4-8H2,1-3H3;1H
InChIKeyIUFRRFCUCQIMGL-UHFFFAOYSA-N
MW286.80 g/mol
LogP2.65
Rot. Bonds3

About 2-(5-tert-butyl-1,2-oxazol-3-yl)-1-piperidin-2-ylethanone;hydrochloride

2-(5-tert-butyl-1,2-oxazol-3-yl)-1-piperidin-2-ylethanone;hydrochloride (PubChem CID 160809244) has the molecular formula C14H23ClN2O2 and a molecular weight of 286.80 g/mol. Its IUPAC name is 2-(5-tert-butyl-1,2-oxazol-3-yl)-1-piperidin-2-ylethanone;hydrochloride.

Molecular Properties

Compound Name2-(5-tert-butyl-1,2-oxazol-3-yl)-1-piperidin-2-ylethanone;hydrochloride
PubChem CID160809244
Molecular FormulaC14H23ClN2O2
Molecular Weight286.80 g/mol
Exact Mass286.14
IUPAC Name2-(5-tert-butyl-1,2-oxazol-3-yl)-1-piperidin-2-ylethanone;hydrochloride
SMILESCC(C)(C)c1cc(CC(=O)C2CCCCN2)no1.Cl
InChIInChI=1S/C14H22N2O2.ClH/c1-14(2,3)13-9-10(16-18-13)8-12(17)11-6-4-5-7-15-11;/h9,11,15H,4-8H2,1-3H3;1H
InChIKeyIUFRRFCUCQIMGL-UHFFFAOYSA-N
XLogP2.65
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.80
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[(2S)-piperidin-2-yl]ethanone
CID 58563745
2-[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]-1-[(2S)-pyrrolidin-2-yl]ethanone
CID 159267261
2-(5-tert-butyl-2-pyridinyl)-1-[(2S)-pyrrolidin-2-yl]ethanone
CID 158131432
2-(4-tert-butyl-1,3-oxazol-2-yl)-1-[(2S)-piperidin-2-yl]ethanone;hydrochloride
CID 160910625
2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[(2S)-1-(morpholine-4-carbonyl)piperidin-2-yl]ethanone
CID 58564058
2-(4-tert-butyl-1,3-oxazol-2-yl)-1-[(2S)-piperidin-2-yl]ethanone
CID 58564094
2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[(2S)-1-(oxan-4-yl)piperidin-2-yl]ethanone
CID 58564046
2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[(2S)-1-(oxane-4-carbonyl)piperidin-2-yl]ethanone
CID 58564037
1-(azepan-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 116582673
1-(azepan-2-yl)-2-(1-methyltriazol-4-yl)ethanone
CID 107062173
2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[4-(4-chlorophenyl)sulfonylmorpholin-3-yl]ethanone;2-(5-tert-butyl-1,2-oxazol-3-yl)-1-morpholin-3-ylethanone;hydrochloride
CID 157198770
1-(azepan-2-yl)-2-(2,4,6-trimethylphenyl)ethanone
CID 116582657

Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butyl-1,2-oxazol-3-yl)-1-piperidin-2-ylethanone;hydrochloride?
The IUPAC name of 2-(5-tert-butyl-1,2-oxazol-3-yl)-1-piperidin-2-ylethanone;hydrochloride (CID 160809244) is 2-(5-tert-butyl-1,2-oxazol-3-yl)-1-piperidin-2-ylethanone;hydrochloride.
What is the SMILES notation for 2-(5-tert-butyl-1,2-oxazol-3-yl)-1-piperidin-2-ylethanone;hydrochloride?
The canonical SMILES for 2-(5-tert-butyl-1,2-oxazol-3-yl)-1-piperidin-2-ylethanone;hydrochloride is CC(C)(C)c1cc(CC(=O)C2CCCCN2)no1.Cl.
What is the InChIKey of 2-(5-tert-butyl-1,2-oxazol-3-yl)-1-piperidin-2-ylethanone;hydrochloride?
The InChIKey is IUFRRFCUCQIMGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2.ClH/c1-14(2,3)13-9-10(16-18-13)8-12(17)11-6-4-5-7-15-11;/h9,11,15H,4-8H2,1-3H3;1H.
What are the key properties of 2-(5-tert-butyl-1,2-oxazol-3-yl)-1-piperidin-2-ylethanone;hydrochloride?
2-(5-tert-butyl-1,2-oxazol-3-yl)-1-piperidin-2-ylethanone;hydrochloride has a molecular weight of 286.80 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-tert-butyl-1,2-oxazol-3-yl)-1-piperidin-2-ylethanone;hydrochloride is sourced from PubChem (CID 160809244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).