3-benzo[f][1,2]benzoxazol-3-ylpiperidine-2,6-dione;carbanide;tungsten

C17H15N2O3W- — CID 165014672

IUPAC3-benzo[f][1,2]benzoxazol-3-ylpiperidine-2,6-dione;carbanide;tungsten
SMILESO=C1CCC(c2noc3cc4ccccc4cc23)C(=O)N1.[CH3-].[W]
InChIInChI=1S/C16H12N2O3.CH3.W/c19-14-6-5-11(16(20)17-14)15-12-7-9-3-1-2-4-10(9)8-13(12)21-18-15;;/h1-4,7-8,11H,5-6H2,(H,17,19,20);1H3;/q;-1;
InChIKeyYZLGKVSYKYLEHT-UHFFFAOYSA-N
MW479.16 g/mol
LogP2.95
Rot. Bonds1

About 3-benzo[f][1,2]benzoxazol-3-ylpiperidine-2,6-dione;carbanide;tungsten

3-benzo[f][1,2]benzoxazol-3-ylpiperidine-2,6-dione;carbanide;tungsten (PubChem CID 165014672) has the molecular formula C17H15N2O3W- and a molecular weight of 479.16 g/mol. Its IUPAC name is 3-benzo[f][1,2]benzoxazol-3-ylpiperidine-2,6-dione;carbanide;tungsten.

Molecular Properties

Compound Name3-benzo[f][1,2]benzoxazol-3-ylpiperidine-2,6-dione;carbanide;tungsten
PubChem CID165014672
Molecular FormulaC17H15N2O3W-
Molecular Weight479.16 g/mol
Exact Mass479.06
IUPAC Name3-benzo[f][1,2]benzoxazol-3-ylpiperidine-2,6-dione;carbanide;tungsten
SMILESO=C1CCC(c2noc3cc4ccccc4cc23)C(=O)N1.[CH3-].[W]
InChIInChI=1S/C16H12N2O3.CH3.W/c19-14-6-5-11(16(20)17-14)15-12-7-9-3-1-2-4-10(9)8-13(12)21-18-15;;/h1-4,7-8,11H,5-6H2,(H,17,19,20);1H3;/q;-1;
InChIKeyYZLGKVSYKYLEHT-UHFFFAOYSA-N
XLogP2.95
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.16
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[6-(aminomethyl)-1,2-benzoxazol-3-yl]piperidine-2,6-dione;hydrochloride
CID 170903448
3-[5-fluoro-6-(3-oxoazetidin-1-yl)-1,2-benzoxazol-3-yl]piperidine-2,6-dione
CID 170005389
(3S)-3-(7-bromobenzo[e][1,2]benzoxazol-1-yl)piperidine-2,6-dione
CID 163969965
3-[6-[(3R)-3-(hydroxymethyl)cyclopentyl]-1,2-benzoxazol-3-yl]piperidine-2,6-dione
CID 176741724
(3R)-3-furo[2,3-e][1,2]benzoxazol-8-ylpiperidine-2,6-dione
CID 164736981
1-(2,6-dioxopiperidin-3-yl)benzo[e][1,2]benzoxazole-7-carbaldehyde
CID 166648979
(3R)-3-[7-(difluoromethoxy)benzo[e][1,2]benzoxazol-1-yl]piperidine-2,6-dione
CID 166649093
3-(6H-pyrazolo[4,5-e][1,2]benzoxazol-1-yl)piperidine-2,6-dione
CID 164736995
N-[1-[(3S)-2,6-dioxopiperidin-3-yl]benzo[e][1,2]benzoxazol-7-yl]acetamide
CID 166649115
N-[1-(2,6-dioxopiperidin-3-yl)benzo[e][1,2]benzoxazol-7-yl]-N-methylsulfonylmethanesulfonamide
CID 167000987
(3R)-3-[7-[(dimethylamino)methyl]benzo[e][1,2]benzoxazol-1-yl]piperidine-2,6-dione
CID 167001494
(3R)-3-[7-(2-pyrrolidin-1-ylethoxy)benzo[e][1,2]benzoxazol-1-yl]piperidine-2,6-dione
CID 167000970

Frequently Asked Questions

What is the IUPAC name of 3-benzo[f][1,2]benzoxazol-3-ylpiperidine-2,6-dione;carbanide;tungsten?
The IUPAC name of 3-benzo[f][1,2]benzoxazol-3-ylpiperidine-2,6-dione;carbanide;tungsten (CID 165014672) is 3-benzo[f][1,2]benzoxazol-3-ylpiperidine-2,6-dione;carbanide;tungsten.
What is the SMILES notation for 3-benzo[f][1,2]benzoxazol-3-ylpiperidine-2,6-dione;carbanide;tungsten?
The canonical SMILES for 3-benzo[f][1,2]benzoxazol-3-ylpiperidine-2,6-dione;carbanide;tungsten is O=C1CCC(c2noc3cc4ccccc4cc23)C(=O)N1.[CH3-].[W].
What is the InChIKey of 3-benzo[f][1,2]benzoxazol-3-ylpiperidine-2,6-dione;carbanide;tungsten?
The InChIKey is YZLGKVSYKYLEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O3.CH3.W/c19-14-6-5-11(16(20)17-14)15-12-7-9-3-1-2-4-10(9)8-13(12)21-18-15;;/h1-4,7-8,11H,5-6H2,(H,17,19,20);1H3;/q;-1;.
What are the key properties of 3-benzo[f][1,2]benzoxazol-3-ylpiperidine-2,6-dione;carbanide;tungsten?
3-benzo[f][1,2]benzoxazol-3-ylpiperidine-2,6-dione;carbanide;tungsten has a molecular weight of 479.16 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzo[f][1,2]benzoxazol-3-ylpiperidine-2,6-dione;carbanide;tungsten is sourced from PubChem (CID 165014672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).