2-methylbutane;3-(2-oxo-1,3-benzoxazol-3-yl)piperidine-2,6-dione

C17H22N2O4 — CID 167594496

IUPAC2-methylbutane;3-(2-oxo-1,3-benzoxazol-3-yl)piperidine-2,6-dione
SMILESCCC(C)C.O=C1CCC(n2c(=O)oc3ccccc32)C(=O)N1
InChIInChI=1S/C12H10N2O4.C5H12/c15-10-6-5-8(11(16)13-10)14-7-3-1-2-4-9(7)18-12(14)17;1-4-5(2)3/h1-4,8H,5-6H2,(H,13,15,16);5H,4H2,1-3H3
InChIKeyIWGZKNWQJFKQMS-UHFFFAOYSA-N
MW318.37 g/mol
LogP2.62
Rot. Bonds2

About 2-methylbutane;3-(2-oxo-1,3-benzoxazol-3-yl)piperidine-2,6-dione

2-methylbutane;3-(2-oxo-1,3-benzoxazol-3-yl)piperidine-2,6-dione (PubChem CID 167594496) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is 2-methylbutane;3-(2-oxo-1,3-benzoxazol-3-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name2-methylbutane;3-(2-oxo-1,3-benzoxazol-3-yl)piperidine-2,6-dione
PubChem CID167594496
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Name2-methylbutane;3-(2-oxo-1,3-benzoxazol-3-yl)piperidine-2,6-dione
SMILESCCC(C)C.O=C1CCC(n2c(=O)oc3ccccc32)C(=O)N1
InChIInChI=1S/C12H10N2O4.C5H12/c15-10-6-5-8(11(16)13-10)14-7-3-1-2-4-9(7)18-12(14)17;1-4-5(2)3/h1-4,8H,5-6H2,(H,13,15,16);5H,4H2,1-3H3
InChIKeyIWGZKNWQJFKQMS-UHFFFAOYSA-N
XLogP2.62
TPSA81.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-oxo-4-propan-2-yl-1,3-benzoxazol-3-yl)piperidine-2,6-dione
CID 163611115
3-[6-(2-methylbutan-2-yl)-2-oxo-1,3-benzoxazol-3-yl]piperidine-2,6-dione
CID 156858542
3-(6-methylsulfanyl-2-oxo-1,3-benzoxazol-3-yl)piperidine-2,6-dione
CID 155484473
3-(6-amino-2-oxo-1,3-benzoxazol-3-yl)piperidine-2,6-dione
CID 170777922
(3S)-3-[6-(2-methylbutan-2-yl)-2-oxo-1,3-benzoxazol-3-yl]piperidine-2,6-dione;molecular hydrogen
CID 163252926
3-(7-hydroxy-2-oxo-1,3-benzoxazol-3-yl)piperidine-2,6-dione
CID 155177543
3-(7-bromo-2-oxo-1,3-benzoxazol-3-yl)piperidine-2,6-dione
CID 138695883
3-[7-(hydroxymethyl)-2-oxo-1,3-benzoxazol-3-yl]piperidine-2,6-dione
CID 171781790
3-(6-ethyl-7-fluoro-2-oxo-1,3-benzoxazol-3-yl)piperidine-2,6-dione
CID 176558678
3-[7-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]-2-oxo-1,3-benzoxazol-3-yl]piperidine-2,6-dione
CID 176736401
(3S)-3-(3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione
CID 166733310
3-(3-cyclopropyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione
CID 138496531

Frequently Asked Questions

What is the IUPAC name of 2-methylbutane;3-(2-oxo-1,3-benzoxazol-3-yl)piperidine-2,6-dione?
The IUPAC name of 2-methylbutane;3-(2-oxo-1,3-benzoxazol-3-yl)piperidine-2,6-dione (CID 167594496) is 2-methylbutane;3-(2-oxo-1,3-benzoxazol-3-yl)piperidine-2,6-dione.
What is the SMILES notation for 2-methylbutane;3-(2-oxo-1,3-benzoxazol-3-yl)piperidine-2,6-dione?
The canonical SMILES for 2-methylbutane;3-(2-oxo-1,3-benzoxazol-3-yl)piperidine-2,6-dione is CCC(C)C.O=C1CCC(n2c(=O)oc3ccccc32)C(=O)N1.
What is the InChIKey of 2-methylbutane;3-(2-oxo-1,3-benzoxazol-3-yl)piperidine-2,6-dione?
The InChIKey is IWGZKNWQJFKQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O4.C5H12/c15-10-6-5-8(11(16)13-10)14-7-3-1-2-4-9(7)18-12(14)17;1-4-5(2)3/h1-4,8H,5-6H2,(H,13,15,16);5H,4H2,1-3H3.
What are the key properties of 2-methylbutane;3-(2-oxo-1,3-benzoxazol-3-yl)piperidine-2,6-dione?
2-methylbutane;3-(2-oxo-1,3-benzoxazol-3-yl)piperidine-2,6-dione has a molecular weight of 318.37 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbutane;3-(2-oxo-1,3-benzoxazol-3-yl)piperidine-2,6-dione is sourced from PubChem (CID 167594496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).