3-(5-methyl-1,3-oxazol-2-yl)piperidin-4-one

C9H12N2O2 — CID 82409015

IUPAC3-(5-methyl-1,3-oxazol-2-yl)piperidin-4-one
SMILESCc1cnc(C2CNCCC2=O)o1
InChIInChI=1S/C9H12N2O2/c1-6-4-11-9(13-6)7-5-10-3-2-8(7)12/h4,7,10H,2-3,5H2,1H3
InChIKeyIJBDMJMRJGUOIE-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.63
Rot. Bonds1

About 3-(5-methyl-1,3-oxazol-2-yl)piperidin-4-one

3-(5-methyl-1,3-oxazol-2-yl)piperidin-4-one (PubChem CID 82409015) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 3-(5-methyl-1,3-oxazol-2-yl)piperidin-4-one.

Molecular Properties

Compound Name3-(5-methyl-1,3-oxazol-2-yl)piperidin-4-one
PubChem CID82409015
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name3-(5-methyl-1,3-oxazol-2-yl)piperidin-4-one
SMILESCc1cnc(C2CNCCC2=O)o1
InChIInChI=1S/C9H12N2O2/c1-6-4-11-9(13-6)7-5-10-3-2-8(7)12/h4,7,10H,2-3,5H2,1H3
InChIKeyIJBDMJMRJGUOIE-UHFFFAOYSA-N
XLogP0.63
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4,5-dimethyl-1,3-oxazol-2-yl)piperidin-4-one
CID 82401136
3-(5-methyl-1,3-thiazol-4-yl)piperidin-4-one
CID 82399414
3-(3,5-dimethyl-1,2-oxazol-4-yl)piperidin-4-one
CID 82401135
3-(6-methyl-[1,2]thiazolo[5,4-d]pyrimidin-3-yl)piperidin-4-one
CID 82383394
3-thieno[3,2-d][1,2]thiazol-5-ylpiperidin-4-one
CID 82388620
5-methyl-2-(4-methylcyclohexyl)-1,3-oxazole
CID 123661199
3-(7-methylthieno[2,3-d]pyridazin-2-yl)piperidin-4-one
CID 82383836
3-(1,3-dimethylpyrazolo[4,3-c]pyridin-7-yl)piperidin-4-one
CID 82385671
5-(5-methyl-1,3-oxazol-2-yl)pyrrolidine-2-carboxylic acid
CID 82399814
N,5-dimethyl-N-(pyrrolidin-3-ylmethyl)-1,3-oxazol-2-amine
CID 112709751
3-(2-chlorophenyl)piperidin-4-one;hydrochloride
CID 121230745
methyl 4-(5-methyl-1,3-oxazol-2-yl)cyclohexane-1-carboxylate
CID 58509473

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-1,3-oxazol-2-yl)piperidin-4-one?
The IUPAC name of 3-(5-methyl-1,3-oxazol-2-yl)piperidin-4-one (CID 82409015) is 3-(5-methyl-1,3-oxazol-2-yl)piperidin-4-one.
What is the SMILES notation for 3-(5-methyl-1,3-oxazol-2-yl)piperidin-4-one?
The canonical SMILES for 3-(5-methyl-1,3-oxazol-2-yl)piperidin-4-one is Cc1cnc(C2CNCCC2=O)o1.
What is the InChIKey of 3-(5-methyl-1,3-oxazol-2-yl)piperidin-4-one?
The InChIKey is IJBDMJMRJGUOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-6-4-11-9(13-6)7-5-10-3-2-8(7)12/h4,7,10H,2-3,5H2,1H3.
What are the key properties of 3-(5-methyl-1,3-oxazol-2-yl)piperidin-4-one?
3-(5-methyl-1,3-oxazol-2-yl)piperidin-4-one has a molecular weight of 180.21 g/mol, XLogP of 0.63, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-1,3-oxazol-2-yl)piperidin-4-one is sourced from PubChem (CID 82409015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).