1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidine-2,6-dione

C11H14N2O3 — CID 121224616

IUPAC1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidine-2,6-dione
SMILESCc1noc(C)c1CN1C(=O)CCCC1=O
InChIInChI=1S/C11H14N2O3/c1-7-9(8(2)16-12-7)6-13-10(14)4-3-5-11(13)15/h3-6H2,1-2H3
InChIKeyRCMIFXPSMHOYNK-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.33
Rot. Bonds2

About 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidine-2,6-dione

1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidine-2,6-dione (PubChem CID 121224616) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidine-2,6-dione.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidine-2,6-dione
PubChem CID121224616
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidine-2,6-dione
SMILESCc1noc(C)c1CN1C(=O)CCCC1=O
InChIInChI=1S/C11H14N2O3/c1-7-9(8(2)16-12-7)6-13-10(14)4-3-5-11(13)15/h3-6H2,1-2H3
InChIKeyRCMIFXPSMHOYNK-UHFFFAOYSA-N
XLogP1.33
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 ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-[(4-cyclopropylidenepiperidin-1-yl)methyl]-3,5-dimethyl-1,2-oxazole;hydrochloride
CID 121184211
2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]cyclopentan-1-one
CID 79544103
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-propylimidazolidine-2,4-dione
CID 18166074
(5R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 30471857
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-oxo-3H-indole-5-carboxylic acid
CID 102711143
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7,8,9,10-tetrahydro-[1,2,4]triazino[4,5-b]indazol-1-one
CID 86263915
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 75462240
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazine-1-carboxylic acid
CID 66621937
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 115825010
(6R)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 98805101
3,5-dimethyl-4-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)-1,2-oxazole
CID 157019503
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(4-methoxyphenyl)imidazolidine-2,4,5-trione
CID 7888549

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidine-2,6-dione?
The IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidine-2,6-dione (CID 121224616) is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidine-2,6-dione.
What is the SMILES notation for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidine-2,6-dione?
The canonical SMILES for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidine-2,6-dione is Cc1noc(C)c1CN1C(=O)CCCC1=O.
What is the InChIKey of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidine-2,6-dione?
The InChIKey is RCMIFXPSMHOYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-7-9(8(2)16-12-7)6-13-10(14)4-3-5-11(13)15/h3-6H2,1-2H3.
What are the key properties of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidine-2,6-dione?
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidine-2,6-dione has a molecular weight of 222.24 g/mol, XLogP of 1.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidine-2,6-dione is sourced from PubChem (CID 121224616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).