1-([1,2,5]oxadiazolo[3,4-b]indol-4-yl)ethanone

C10H7N3O2 — CID 71357535

IUPAC1-([1,2,5]oxadiazolo[3,4-b]indol-4-yl)ethanone
SMILESCC(=O)n1c2ccccc2c2nonc21
InChIInChI=1S/C10H7N3O2/c1-6(14)13-8-5-3-2-4-7(8)9-10(13)12-15-11-9/h2-5H,1H3
InChIKeyXTDUWWSXZABVMW-UHFFFAOYSA-N
MW201.19 g/mol
LogP1.84
Rot. Bonds

About 1-([1,2,5]oxadiazolo[3,4-b]indol-4-yl)ethanone

1-([1,2,5]oxadiazolo[3,4-b]indol-4-yl)ethanone (PubChem CID 71357535) has the molecular formula C10H7N3O2 and a molecular weight of 201.19 g/mol. Its IUPAC name is 1-([1,2,5]oxadiazolo[3,4-b]indol-4-yl)ethanone.

Molecular Properties

Compound Name1-([1,2,5]oxadiazolo[3,4-b]indol-4-yl)ethanone
PubChem CID71357535
Molecular FormulaC10H7N3O2
Molecular Weight201.19 g/mol
Exact Mass201.05
IUPAC Name1-([1,2,5]oxadiazolo[3,4-b]indol-4-yl)ethanone
SMILESCC(=O)n1c2ccccc2c2nonc21
InChIInChI=1S/C10H7N3O2/c1-6(14)13-8-5-3-2-4-7(8)9-10(13)12-15-11-9/h2-5H,1H3
InChIKeyXTDUWWSXZABVMW-UHFFFAOYSA-N
XLogP1.84
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.19
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-([1,2,5]oxadiazolo[3,4-b]indol-4-yl)ethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-([1,2,5]oxadiazolo[3,4-b]indol-4-yl)ethanone?
The IUPAC name of 1-([1,2,5]oxadiazolo[3,4-b]indol-4-yl)ethanone (CID 71357535) is 1-([1,2,5]oxadiazolo[3,4-b]indol-4-yl)ethanone.
What is the SMILES notation for 1-([1,2,5]oxadiazolo[3,4-b]indol-4-yl)ethanone?
The canonical SMILES for 1-([1,2,5]oxadiazolo[3,4-b]indol-4-yl)ethanone is CC(=O)n1c2ccccc2c2nonc21.
What is the InChIKey of 1-([1,2,5]oxadiazolo[3,4-b]indol-4-yl)ethanone?
The InChIKey is XTDUWWSXZABVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3O2/c1-6(14)13-8-5-3-2-4-7(8)9-10(13)12-15-11-9/h2-5H,1H3.
What are the key properties of 1-([1,2,5]oxadiazolo[3,4-b]indol-4-yl)ethanone?
1-([1,2,5]oxadiazolo[3,4-b]indol-4-yl)ethanone has a molecular weight of 201.19 g/mol, XLogP of 1.84, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-([1,2,5]oxadiazolo[3,4-b]indol-4-yl)ethanone is sourced from PubChem (CID 71357535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).