2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(2,3-dihydroindol-1-yl)ethanone

C19H17N3O2S — CID 2155832

IUPAC2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(2,3-dihydroindol-1-yl)ethanone
SMILESO=C(CSc1nnc(Cc2ccccc2)o1)N1CCc2ccccc21
InChIInChI=1S/C19H17N3O2S/c23-18(22-11-10-15-8-4-5-9-16(15)22)13-25-19-21-20-17(24-19)12-14-6-2-1-3-7-14/h1-9H,10-13H2
InChIKeyZQWXXLUCEFLHOY-UHFFFAOYSA-N
MW351.43 g/mol
LogP3.34
Rot. Bonds5

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

2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(2,3-dihydroindol-1-yl)ethanone (PubChem CID 2155832) has the molecular formula C19H17N3O2S and a molecular weight of 351.43 g/mol. Its IUPAC name is 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

Compound Name2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(2,3-dihydroindol-1-yl)ethanone
PubChem CID2155832
Molecular FormulaC19H17N3O2S
Molecular Weight351.43 g/mol
Exact Mass351.10
IUPAC Name2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(2,3-dihydroindol-1-yl)ethanone
SMILESO=C(CSc1nnc(Cc2ccccc2)o1)N1CCc2ccccc21
InChIInChI=1S/C19H17N3O2S/c23-18(22-11-10-15-8-4-5-9-16(15)22)13-25-19-21-20-17(24-19)12-14-6-2-1-3-7-14/h1-9H,10-13H2
InChIKeyZQWXXLUCEFLHOY-UHFFFAOYSA-N
XLogP3.34
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(2,3-dihydroindol-1-yl)ethanone with MolForge

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Related Compounds

2-((5-benzyl-1,3,4-oxadiazol-2-yl)thio)-1-(3,4-dihydroquinolin-1(2H)-yl)ethanone
CID 647610
3-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-methylphenyl)propanamide
CID 992163
3-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(3-methylphenyl)propanamide
CID 992164
2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(3-fluorophenyl)acetamide
CID 1259963
2-[[2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]-methylamino]-N-(4-fluorophenyl)acetamide
CID 2549659
2-((5-Benzyl-1,3,4-oxadiazol-2-yl)thio)-N-(2,4-dimethylphenyl)acetamide
CID 375293
2-((5-Benzyl-1,3,4-oxadiazol-2-yl)thio)-N-(o-tolyl)acetamide
CID 375283
2-((5-Benzyl-1,3,4-oxadiazol-2-yl)thio)-N-(p-tolyl)acetamide
CID 375285
2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2,6-dimethylphenyl)acetamide
CID 1114741
2-((5-Benzyl-1,3,4-oxadiazol-2-yl)thio)-N-phenylacetamide
CID 375280
2-((5-Benzyl-1,3,4-oxadiazol-2-yl)thio)-N-(m-tolyl)acetamide
CID 375284
2-((5-(2-Fluorophenyl)-1,3,4-oxadiazol-2-yl)thio)-1-(indolin-1-yl)ethanone
CID 1073186

Frequently Asked Questions

What is the IUPAC name of 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(2,3-dihydroindol-1-yl)ethanone?
The IUPAC name of 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(2,3-dihydroindol-1-yl)ethanone (CID 2155832) is 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(2,3-dihydroindol-1-yl)ethanone.
What is the SMILES notation for 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(2,3-dihydroindol-1-yl)ethanone?
The canonical SMILES for 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(2,3-dihydroindol-1-yl)ethanone is O=C(CSc1nnc(Cc2ccccc2)o1)N1CCc2ccccc21.
What is the InChIKey of 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(2,3-dihydroindol-1-yl)ethanone?
The InChIKey is ZQWXXLUCEFLHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2S/c23-18(22-11-10-15-8-4-5-9-16(15)22)13-25-19-21-20-17(24-19)12-14-6-2-1-3-7-14/h1-9H,10-13H2.
What are the key properties of 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(2,3-dihydroindol-1-yl)ethanone?
2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(2,3-dihydroindol-1-yl)ethanone has a molecular weight of 351.43 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 2155832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).