1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidine-2,4-dione

C11H14N2O3 — CID 106373100

IUPAC1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidine-2,4-dione
SMILESCc1nc(CN2CCC(=O)CC2=O)oc1C
InChIInChI=1S/C11H14N2O3/c1-7-8(2)16-10(12-7)6-13-4-3-9(14)5-11(13)15/h3-6H2,1-2H3
InChIKeyFKCBHLJMIYLGMU-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.98
Rot. Bonds2

About 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidine-2,4-dione

1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidine-2,4-dione (PubChem CID 106373100) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidine-2,4-dione.

Molecular Properties

Compound Name1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidine-2,4-dione
PubChem CID106373100
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidine-2,4-dione
SMILESCc1nc(CN2CCC(=O)CC2=O)oc1C
InChIInChI=1S/C11H14N2O3/c1-7-8(2)16-10(12-7)6-13-4-3-9(14)5-11(13)15/h3-6H2,1-2H3
InChIKeyFKCBHLJMIYLGMU-UHFFFAOYSA-N
XLogP0.98
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-Ethyl-5-(1-piperidinyl)-1,3-oxazole-4-carbonitrile
CID 2304936
1-[1-[(4,5-Dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]-3-ethylimidazolidin-2-one
CID 53573318
4,5-Dimethyl-2-[(4-piperidin-1-ylsulfonylpiperazin-1-yl)methyl]-1,3-oxazole
CID 53577576
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 71988839
(1-((Dimethyl-1,3-oxazol-2-yl)methyl)piperidin-4-yl)methanamine
CID 52203126
3-[4-[(4,5-Dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-1-(2,2,2-trifluoroethyl)piperidin-2-one
CID 75469562
(3R)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 96075096
(3S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 96075097
(3R)-3-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-1-(2,2,2-trifluoroethyl)piperidin-2-one
CID 97325631
(3S)-3-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-1-(2,2,2-trifluoroethyl)piperidin-2-one
CID 97325632
[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-[(2R,4S)-4-fluoropyrrolidin-2-yl]methanone
CID 120471411
2-[[4-(Fluoromethyl)piperidin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole
CID 126793777

Frequently Asked Questions

What is the IUPAC name of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidine-2,4-dione?
The IUPAC name of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidine-2,4-dione (CID 106373100) is 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidine-2,4-dione.
What is the SMILES notation for 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidine-2,4-dione?
The canonical SMILES for 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidine-2,4-dione is Cc1nc(CN2CCC(=O)CC2=O)oc1C.
What is the InChIKey of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidine-2,4-dione?
The InChIKey is FKCBHLJMIYLGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-7-8(2)16-10(12-7)6-13-4-3-9(14)5-11(13)15/h3-6H2,1-2H3.
What are the key properties of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidine-2,4-dione?
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidine-2,4-dione has a molecular weight of 222.24 g/mol, XLogP of 0.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidine-2,4-dione is sourced from PubChem (CID 106373100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).