2-(1,3-oxazol-4-yl)piperidin-4-one

C8H10N2O2 — CID 82414305

IUPAC2-(1,3-oxazol-4-yl)piperidin-4-one
SMILESO=C1CCNC(c2cocn2)C1
InChIInChI=1S/C8H10N2O2/c11-6-1-2-9-7(3-6)8-4-12-5-10-8/h4-5,7,9H,1-3H2
InChIKeyQFKFMGJMIZTFDN-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.67
Rot. Bonds1

About 2-(1,3-oxazol-4-yl)piperidin-4-one

2-(1,3-oxazol-4-yl)piperidin-4-one (PubChem CID 82414305) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 2-(1,3-oxazol-4-yl)piperidin-4-one.

Molecular Properties

Compound Name2-(1,3-oxazol-4-yl)piperidin-4-one
PubChem CID82414305
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name2-(1,3-oxazol-4-yl)piperidin-4-one
SMILESO=C1CCNC(c2cocn2)C1
InChIInChI=1S/C8H10N2O2/c11-6-1-2-9-7(3-6)8-4-12-5-10-8/h4-5,7,9H,1-3H2
InChIKeyQFKFMGJMIZTFDN-UHFFFAOYSA-N
XLogP0.67
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2R)-piperidin-2-yl]-1,3-oxazole;hydrochloride
CID 154574673
2-(6-methyl-2-pyridinyl)piperidin-4-one
CID 82403926
2-(3-methoxyimidazo[1,2-b]pyridazin-6-yl)piperidin-4-one
CID 82384508
2-(6-fluoro-3-pyridinyl)piperidin-4-one
CID 82401375
(2R)-2-phenylpiperidin-4-one
CID 86319056
7-(4-oxopiperidin-2-yl)-2,3-dihydro-[1,3]thiazolo[3,2-c]pyrimidin-5-one
CID 82382524
2-(2-hydroxyphenyl)piperidin-4-one
CID 75982706
2-(5-methyl-4,6,7,8-tetrahydrofuro[3,2-c]azepin-2-yl)piperidin-4-one
CID 82383350
2-[2-(trifluoromethyl)phenyl]piperidin-4-one
CID 75982795
2-[3-(trifluoromethyl)thiophen-2-yl]piperidin-4-one
CID 82383175
2-thieno[2,3-b]thiophen-5-ylpiperidin-4-one
CID 82388922
(2R)-2-tert-butylpiperidin-4-one
CID 86332731

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-oxazol-4-yl)piperidin-4-one?
The IUPAC name of 2-(1,3-oxazol-4-yl)piperidin-4-one (CID 82414305) is 2-(1,3-oxazol-4-yl)piperidin-4-one.
What is the SMILES notation for 2-(1,3-oxazol-4-yl)piperidin-4-one?
The canonical SMILES for 2-(1,3-oxazol-4-yl)piperidin-4-one is O=C1CCNC(c2cocn2)C1.
What is the InChIKey of 2-(1,3-oxazol-4-yl)piperidin-4-one?
The InChIKey is QFKFMGJMIZTFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c11-6-1-2-9-7(3-6)8-4-12-5-10-8/h4-5,7,9H,1-3H2.
What are the key properties of 2-(1,3-oxazol-4-yl)piperidin-4-one?
2-(1,3-oxazol-4-yl)piperidin-4-one has a molecular weight of 166.18 g/mol, XLogP of 0.67, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-oxazol-4-yl)piperidin-4-one is sourced from PubChem (CID 82414305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).