(3S)-3-[6-(2-methylbutan-2-yl)-2-oxo-1,3-benzoxazol-3-yl]piperidine-2,6-dione;molecular hydrogen

C17H22N2O4 — CID 163252926

IUPAC(3S)-3-[6-(2-methylbutan-2-yl)-2-oxo-1,3-benzoxazol-3-yl]piperidine-2,6-dione;molecular hydrogen
SMILESCCC(C)(C)c1ccc2c(c1)oc(=O)n2[C@H]1CCC(=O)NC1=O.[H][H]
InChIInChI=1S/C17H20N2O4.H2/c1-4-17(2,3)10-5-6-11-13(9-10)23-16(22)19(11)12-7-8-14(20)18-15(12)21;/h5-6,9,12H,4,7-8H2,1-3H3,(H,18,20,21);1H/t12-;/m0./s1
InChIKeyDYNCQLZOLZJPPL-YDALLXLXSA-N
MW318.37 g/mol
LogP2.51
Rot. Bonds3

About (3S)-3-[6-(2-methylbutan-2-yl)-2-oxo-1,3-benzoxazol-3-yl]piperidine-2,6-dione;molecular hydrogen

(3S)-3-[6-(2-methylbutan-2-yl)-2-oxo-1,3-benzoxazol-3-yl]piperidine-2,6-dione;molecular hydrogen (PubChem CID 163252926) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is (3S)-3-[6-(2-methylbutan-2-yl)-2-oxo-1,3-benzoxazol-3-yl]piperidine-2,6-dione;molecular hydrogen.

Molecular Properties

Compound Name(3S)-3-[6-(2-methylbutan-2-yl)-2-oxo-1,3-benzoxazol-3-yl]piperidine-2,6-dione;molecular hydrogen
PubChem CID163252926
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Name(3S)-3-[6-(2-methylbutan-2-yl)-2-oxo-1,3-benzoxazol-3-yl]piperidine-2,6-dione;molecular hydrogen
SMILESCCC(C)(C)c1ccc2c(c1)oc(=O)n2[C@H]1CCC(=O)NC1=O.[H][H]
InChIInChI=1S/C17H20N2O4.H2/c1-4-17(2,3)10-5-6-11-13(9-10)23-16(22)19(11)12-7-8-14(20)18-15(12)21;/h5-6,9,12H,4,7-8H2,1-3H3,(H,18,20,21);1H/t12-;/m0./s1
InChIKeyDYNCQLZOLZJPPL-YDALLXLXSA-N
XLogP2.51
TPSA81.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (3S)-3-[6-(2-methylbutan-2-yl)-2-oxo-1,3-benzoxazol-3-yl]piperidine-2,6-dione;molecular hydrogen 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-[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
2-methylbutane;3-(2-oxo-1,3-benzoxazol-3-yl)piperidine-2,6-dione
CID 167594496
tert-butyl (E)-3-[3-(2,6-dioxopiperidin-3-yl)-2-oxo-1,3-benzoxazol-6-yl]prop-2-enoate
CID 177301843
3-(6-ethyl-7-fluoro-2-oxo-1,3-benzoxazol-3-yl)piperidine-2,6-dione
CID 176558678
3-[6-[1-(4-methylcyclohexyl)piperidin-4-yl]-2-oxo-1,3-benzoxazol-3-yl]piperidine-2,6-dione
CID 172589997
tert-butyl-[2-[2-[3-[3-(2,6-dioxopiperidin-3-yl)-2-oxo-1,3-benzoxazol-6-yl]propoxy]ethoxy]ethyl]carbamic acid
CID 138695345
tert-butyl 4-[3-(2,6-dioxopiperidin-3-yl)-2-oxo-1,3-benzoxazol-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 156508255
3-[(3R)-6-methylidene-2-oxopiperidin-3-yl]-6-propan-2-yl-1,3-benzoxazol-2-one;molecular hydrogen
CID 160638282
3-[2-oxo-6-[4-(2-piperazin-1-ylethyl)piperidin-1-yl]-1,3-benzoxazol-3-yl]piperidine-2,6-dione
CID 172591531
3-[2-oxo-6-[1-(piperidin-4-ylmethyl)piperidin-4-yl]-1,3-benzoxazol-3-yl]piperidine-2,6-dione
CID 172592649

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[6-(2-methylbutan-2-yl)-2-oxo-1,3-benzoxazol-3-yl]piperidine-2,6-dione;molecular hydrogen?
The IUPAC name of (3S)-3-[6-(2-methylbutan-2-yl)-2-oxo-1,3-benzoxazol-3-yl]piperidine-2,6-dione;molecular hydrogen (CID 163252926) is (3S)-3-[6-(2-methylbutan-2-yl)-2-oxo-1,3-benzoxazol-3-yl]piperidine-2,6-dione;molecular hydrogen.
What is the SMILES notation for (3S)-3-[6-(2-methylbutan-2-yl)-2-oxo-1,3-benzoxazol-3-yl]piperidine-2,6-dione;molecular hydrogen?
The canonical SMILES for (3S)-3-[6-(2-methylbutan-2-yl)-2-oxo-1,3-benzoxazol-3-yl]piperidine-2,6-dione;molecular hydrogen is CCC(C)(C)c1ccc2c(c1)oc(=O)n2[C@H]1CCC(=O)NC1=O.[H][H].
What is the InChIKey of (3S)-3-[6-(2-methylbutan-2-yl)-2-oxo-1,3-benzoxazol-3-yl]piperidine-2,6-dione;molecular hydrogen?
The InChIKey is DYNCQLZOLZJPPL-YDALLXLXSA-N. The full InChI is InChI=1S/C17H20N2O4.H2/c1-4-17(2,3)10-5-6-11-13(9-10)23-16(22)19(11)12-7-8-14(20)18-15(12)21;/h5-6,9,12H,4,7-8H2,1-3H3,(H,18,20,21);1H/t12-;/m0./s1.
What are the key properties of (3S)-3-[6-(2-methylbutan-2-yl)-2-oxo-1,3-benzoxazol-3-yl]piperidine-2,6-dione;molecular hydrogen?
(3S)-3-[6-(2-methylbutan-2-yl)-2-oxo-1,3-benzoxazol-3-yl]piperidine-2,6-dione;molecular hydrogen has a molecular weight of 318.37 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[6-(2-methylbutan-2-yl)-2-oxo-1,3-benzoxazol-3-yl]piperidine-2,6-dione;molecular hydrogen is sourced from PubChem (CID 163252926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).