2-(4-tert-butyl-1,3-oxazol-2-yl)-1-[(2S)-piperidin-2-yl]ethanone

C14H22N2O2 — CID 58564094

IUPAC2-(4-tert-butyl-1,3-oxazol-2-yl)-1-[(2S)-piperidin-2-yl]ethanone
SMILESCC(C)(C)c1coc(CC(=O)[C@@H]2CCCCN2)n1
InChIInChI=1S/C14H22N2O2/c1-14(2,3)12-9-18-13(16-12)8-11(17)10-6-4-5-7-15-10/h9-10,15H,4-8H2,1-3H3/t10-/m0/s1
InChIKeySQSMKTLJJNKETI-JTQLQIEISA-N
MW250.34 g/mol
LogP2.23
Rot. Bonds3

About 2-(4-tert-butyl-1,3-oxazol-2-yl)-1-[(2S)-piperidin-2-yl]ethanone

2-(4-tert-butyl-1,3-oxazol-2-yl)-1-[(2S)-piperidin-2-yl]ethanone (PubChem CID 58564094) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-(4-tert-butyl-1,3-oxazol-2-yl)-1-[(2S)-piperidin-2-yl]ethanone.

Molecular Properties

Compound Name2-(4-tert-butyl-1,3-oxazol-2-yl)-1-[(2S)-piperidin-2-yl]ethanone
PubChem CID58564094
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-(4-tert-butyl-1,3-oxazol-2-yl)-1-[(2S)-piperidin-2-yl]ethanone
SMILESCC(C)(C)c1coc(CC(=O)[C@@H]2CCCCN2)n1
InChIInChI=1S/C14H22N2O2/c1-14(2,3)12-9-18-13(16-12)8-11(17)10-6-4-5-7-15-10/h9-10,15H,4-8H2,1-3H3/t10-/m0/s1
InChIKeySQSMKTLJJNKETI-JTQLQIEISA-N
XLogP2.23
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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)-piperidin-2-yl]ethanone
CID 58563745
2-(5-tert-butyl-1,2-oxazol-3-yl)-1-piperidin-2-ylethanone;hydrochloride
CID 160809244
2-(5-tert-butyl-2-pyridinyl)-1-[(2S)-pyrrolidin-2-yl]ethanone
CID 158131432
2-[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]-1-[(2S)-pyrrolidin-2-yl]ethanone
CID 159267261
2-(4-ethylphenyl)-1-piperidin-2-ylethanone
CID 116547776
2-(2,5-dimethylphenyl)-1-piperidin-2-ylethanone
CID 116547886
1-(azepan-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 116582673
1-(azepan-2-yl)-2-(2,4,6-trimethylphenyl)ethanone
CID 116582657
1-piperidin-2-yl-2-(1,3-thiazol-2-yl)ethanone
CID 116547771
N-(3-tert-butyl-1,2-thiazol-5-yl)piperidine-2-carboxamide
CID 70865082
1-(azepan-2-yl)-2-(1-methyltriazol-4-yl)ethanone
CID 107062173

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-1,3-oxazol-2-yl)-1-[(2S)-piperidin-2-yl]ethanone?
The IUPAC name of 2-(4-tert-butyl-1,3-oxazol-2-yl)-1-[(2S)-piperidin-2-yl]ethanone (CID 58564094) is 2-(4-tert-butyl-1,3-oxazol-2-yl)-1-[(2S)-piperidin-2-yl]ethanone.
What is the SMILES notation for 2-(4-tert-butyl-1,3-oxazol-2-yl)-1-[(2S)-piperidin-2-yl]ethanone?
The canonical SMILES for 2-(4-tert-butyl-1,3-oxazol-2-yl)-1-[(2S)-piperidin-2-yl]ethanone is CC(C)(C)c1coc(CC(=O)[C@@H]2CCCCN2)n1.
What is the InChIKey of 2-(4-tert-butyl-1,3-oxazol-2-yl)-1-[(2S)-piperidin-2-yl]ethanone?
The InChIKey is SQSMKTLJJNKETI-JTQLQIEISA-N. The full InChI is InChI=1S/C14H22N2O2/c1-14(2,3)12-9-18-13(16-12)8-11(17)10-6-4-5-7-15-10/h9-10,15H,4-8H2,1-3H3/t10-/m0/s1.
What are the key properties of 2-(4-tert-butyl-1,3-oxazol-2-yl)-1-[(2S)-piperidin-2-yl]ethanone?
2-(4-tert-butyl-1,3-oxazol-2-yl)-1-[(2S)-piperidin-2-yl]ethanone has a molecular weight of 250.34 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-1,3-oxazol-2-yl)-1-[(2S)-piperidin-2-yl]ethanone is sourced from PubChem (CID 58564094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).