3-(2-oxo-4-propan-2-yl-1,3-benzoxazol-3-yl)piperidine-2,6-dione

C15H16N2O4 — CID 163611115

IUPAC3-(2-oxo-4-propan-2-yl-1,3-benzoxazol-3-yl)piperidine-2,6-dione
SMILESCC(C)c1cccc2oc(=O)n(C3CCC(=O)NC3=O)c12
InChIInChI=1S/C15H16N2O4/c1-8(2)9-4-3-5-11-13(9)17(15(20)21-11)10-6-7-12(18)16-14(10)19/h3-5,8,10H,6-7H2,1-2H3,(H,16,18,19)
InChIKeyHFZJSKYTGWENGT-UHFFFAOYSA-N
MW288.30 g/mol
LogP1.70
Rot. Bonds2

About 3-(2-oxo-4-propan-2-yl-1,3-benzoxazol-3-yl)piperidine-2,6-dione

3-(2-oxo-4-propan-2-yl-1,3-benzoxazol-3-yl)piperidine-2,6-dione (PubChem CID 163611115) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 3-(2-oxo-4-propan-2-yl-1,3-benzoxazol-3-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(2-oxo-4-propan-2-yl-1,3-benzoxazol-3-yl)piperidine-2,6-dione
PubChem CID163611115
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name3-(2-oxo-4-propan-2-yl-1,3-benzoxazol-3-yl)piperidine-2,6-dione
SMILESCC(C)c1cccc2oc(=O)n(C3CCC(=O)NC3=O)c12
InChIInChI=1S/C15H16N2O4/c1-8(2)9-4-3-5-11-13(9)17(15(20)21-11)10-6-7-12(18)16-14(10)19/h3-5,8,10H,6-7H2,1-2H3,(H,16,18,19)
InChIKeyHFZJSKYTGWENGT-UHFFFAOYSA-N
XLogP1.70
TPSA81.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(2-oxo-4-propan-2-yl-1,3-benzoxazol-3-yl)piperidine-2,6-dione with MolForge

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Related Compounds

2-methylbutane;3-(2-oxo-1,3-benzoxazol-3-yl)piperidine-2,6-dione
CID 167594496
3-(4-propan-2-yl-1,3-dihydroisoindol-2-yl)piperidine-2,6-dione
CID 130335320
3-(7-methoxy-3-methyl-2-oxo-4-propan-2-ylbenzimidazol-1-yl)piperidine-2,6-dione
CID 164567760
3-(7-bromo-2-oxo-1,3-benzoxazol-3-yl)piperidine-2,6-dione
CID 138695883
3-(7-hydroxy-2-oxo-1,3-benzoxazol-3-yl)piperidine-2,6-dione
CID 155177543
3-(6-methylsulfanyl-2-oxo-1,3-benzoxazol-3-yl)piperidine-2,6-dione
CID 155484473
(3S)-3-(3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione
CID 166733310
3-(6-amino-2-oxo-1,3-benzoxazol-3-yl)piperidine-2,6-dione
CID 170777922
3-[3-methyl-4-(2-methylpropyl)-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 166800461
5-fluoro-3-(6-methylidene-2-oxopiperidin-3-yl)-6-propan-2-yl-1,3-benzoxazol-2-one
CID 170079780
3-(3,4-dimethyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione;ethane
CID 163400444
3-(3-methyl-2-oxo-5-propan-2-ylbenzimidazol-1-yl)piperidine-2,6-dione
CID 138727887

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-4-propan-2-yl-1,3-benzoxazol-3-yl)piperidine-2,6-dione?
The IUPAC name of 3-(2-oxo-4-propan-2-yl-1,3-benzoxazol-3-yl)piperidine-2,6-dione (CID 163611115) is 3-(2-oxo-4-propan-2-yl-1,3-benzoxazol-3-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(2-oxo-4-propan-2-yl-1,3-benzoxazol-3-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(2-oxo-4-propan-2-yl-1,3-benzoxazol-3-yl)piperidine-2,6-dione is CC(C)c1cccc2oc(=O)n(C3CCC(=O)NC3=O)c12.
What is the InChIKey of 3-(2-oxo-4-propan-2-yl-1,3-benzoxazol-3-yl)piperidine-2,6-dione?
The InChIKey is HFZJSKYTGWENGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-8(2)9-4-3-5-11-13(9)17(15(20)21-11)10-6-7-12(18)16-14(10)19/h3-5,8,10H,6-7H2,1-2H3,(H,16,18,19).
What are the key properties of 3-(2-oxo-4-propan-2-yl-1,3-benzoxazol-3-yl)piperidine-2,6-dione?
3-(2-oxo-4-propan-2-yl-1,3-benzoxazol-3-yl)piperidine-2,6-dione has a molecular weight of 288.30 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-4-propan-2-yl-1,3-benzoxazol-3-yl)piperidine-2,6-dione is sourced from PubChem (CID 163611115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).