1-(2,3-dimethylindol-1-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone

C20H17N3O2S — CID 1153034

IUPAC1-(2,3-dimethylindol-1-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
SMILESCc1c(C)n(C(=O)CSc2nnc(-c3ccccc3)o2)c2ccccc12
InChIInChI=1S/C20H17N3O2S/c1-13-14(2)23(17-11-7-6-10-16(13)17)18(24)12-26-20-22-21-19(25-20)15-8-4-3-5-9-15/h3-11H,12H2,1-2H3
InChIKeyGQDOAJUAWQIXGO-UHFFFAOYSA-N
MW363.44 g/mol
LogP4.74
Rot. Bonds4

About 1-(2,3-dimethylindol-1-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone

1-(2,3-dimethylindol-1-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone (PubChem CID 1153034) has the molecular formula C20H17N3O2S and a molecular weight of 363.44 g/mol. Its IUPAC name is 1-(2,3-dimethylindol-1-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone.

Molecular Properties

Compound Name1-(2,3-dimethylindol-1-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
PubChem CID1153034
Molecular FormulaC20H17N3O2S
Molecular Weight363.44 g/mol
Exact Mass363.10
IUPAC Name1-(2,3-dimethylindol-1-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
SMILESCc1c(C)n(C(=O)CSc2nnc(-c3ccccc3)o2)c2ccccc12
InChIInChI=1S/C20H17N3O2S/c1-13-14(2)23(17-11-7-6-10-16(13)17)18(24)12-26-20-22-21-19(25-20)15-8-4-3-5-9-15/h3-11H,12H2,1-2H3
InChIKeyGQDOAJUAWQIXGO-UHFFFAOYSA-N
XLogP4.74
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(2,3-dimethylindol-1-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]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-(2,3-dimethylindol-1-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone?
The IUPAC name of 1-(2,3-dimethylindol-1-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone (CID 1153034) is 1-(2,3-dimethylindol-1-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone.
What is the SMILES notation for 1-(2,3-dimethylindol-1-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone?
The canonical SMILES for 1-(2,3-dimethylindol-1-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone is Cc1c(C)n(C(=O)CSc2nnc(-c3ccccc3)o2)c2ccccc12.
What is the InChIKey of 1-(2,3-dimethylindol-1-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone?
The InChIKey is GQDOAJUAWQIXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2S/c1-13-14(2)23(17-11-7-6-10-16(13)17)18(24)12-26-20-22-21-19(25-20)15-8-4-3-5-9-15/h3-11H,12H2,1-2H3.
What are the key properties of 1-(2,3-dimethylindol-1-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone?
1-(2,3-dimethylindol-1-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone has a molecular weight of 363.44 g/mol, XLogP of 4.74, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylindol-1-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone is sourced from PubChem (CID 1153034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).