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

C10H14N2O2 — CID 150666174

IUPAC3-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-2-one
SMILESCc1cc(CC2CCCNC2=O)no1
InChIInChI=1S/C10H14N2O2/c1-7-5-9(12-14-7)6-8-3-2-4-11-10(8)13/h5,8H,2-4,6H2,1H3,(H,11,13)
InChIKeyJEXMDWQTYDZKFG-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.05
Rot. Bonds2

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

3-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-2-one (PubChem CID 150666174) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 3-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-2-one.

Molecular Properties

Compound Name3-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-2-one
PubChem CID150666174
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name3-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-2-one
SMILESCc1cc(CC2CCCNC2=O)no1
InChIInChI=1S/C10H14N2O2/c1-7-5-9(12-14-7)6-8-3-2-4-11-10(8)13/h5,8H,2-4,6H2,1H3,(H,11,13)
InChIKeyJEXMDWQTYDZKFG-UHFFFAOYSA-N
XLogP1.05
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1-methylpyrazol-3-yl)methyl]piperidin-2-one
CID 104679143
3-[(2,5-dimethylphenyl)methyl]piperidin-2-one
CID 104679078
ethane;5-methyl-N-[2-oxo-2-[[1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]ethyl]-1,2-oxazole-3-carboxamide
CID 155736240
3-[(dimethylamino)methyl]piperidin-2-one
CID 152616281
3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]piperidin-2-one
CID 104679113
3-[(3,4-dimethylphenyl)methyl]azepan-2-one
CID 113440321
(3R)-3-[(4-fluorophenyl)methyl]piperidin-2-one
CID 93477738
3-[(3-methylphenyl)methyl]azepan-2-one
CID 104679648
3-(2,3-dihydro-1H-inden-5-ylmethyl)piperidin-2-one
CID 104679081
(3R)-3-[(4-bromophenyl)methyl]piperidin-2-one
CID 124593006
N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-pyrrolidin-3-ylmethanesulfonamide
CID 63297663
(3S)-3-[(3-chlorophenyl)methyl]piperidin-2-one
CID 124592994

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-2-one?
The IUPAC name of 3-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-2-one (CID 150666174) is 3-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-2-one.
What is the SMILES notation for 3-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-2-one?
The canonical SMILES for 3-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-2-one is Cc1cc(CC2CCCNC2=O)no1.
What is the InChIKey of 3-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-2-one?
The InChIKey is JEXMDWQTYDZKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-7-5-9(12-14-7)6-8-3-2-4-11-10(8)13/h5,8H,2-4,6H2,1H3,(H,11,13).
What are the key properties of 3-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-2-one?
3-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-2-one has a molecular weight of 194.23 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-2-one is sourced from PubChem (CID 150666174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).