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

C20H20N4O2S — CID 652858

IUPAC2-[[5-(anilinomethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
SMILESCC1Cc2ccccc2N1C(=O)CSc1nnc(CNc2ccccc2)o1
InChIInChI=1S/C20H20N4O2S/c1-14-11-15-7-5-6-10-17(15)24(14)19(25)13-27-20-23-22-18(26-20)12-21-16-8-3-2-4-9-16/h2-10,14,21H,11-13H2,1H3
InChIKeyHTSQERUSLPZCCK-UHFFFAOYSA-N
MW380.47 g/mol
LogP3.75
Rot. Bonds6

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

2-[[5-(anilinomethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone (PubChem CID 652858) has the molecular formula C20H20N4O2S and a molecular weight of 380.47 g/mol. Its IUPAC name is 2-[[5-(anilinomethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

Compound Name2-[[5-(anilinomethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
PubChem CID652858
Molecular FormulaC20H20N4O2S
Molecular Weight380.47 g/mol
Exact Mass380.13
IUPAC Name2-[[5-(anilinomethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
SMILESCC1Cc2ccccc2N1C(=O)CSc1nnc(CNc2ccccc2)o1
InChIInChI=1S/C20H20N4O2S/c1-14-11-15-7-5-6-10-17(15)24(14)19(25)13-27-20-23-22-18(26-20)12-21-16-8-3-2-4-9-16/h2-10,14,21H,11-13H2,1H3
InChIKeyHTSQERUSLPZCCK-UHFFFAOYSA-N
XLogP3.75
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(anilinomethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone?
The IUPAC name of 2-[[5-(anilinomethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone (CID 652858) is 2-[[5-(anilinomethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone.
What is the SMILES notation for 2-[[5-(anilinomethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone?
The canonical SMILES for 2-[[5-(anilinomethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone is CC1Cc2ccccc2N1C(=O)CSc1nnc(CNc2ccccc2)o1.
What is the InChIKey of 2-[[5-(anilinomethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone?
The InChIKey is HTSQERUSLPZCCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2S/c1-14-11-15-7-5-6-10-17(15)24(14)19(25)13-27-20-23-22-18(26-20)12-21-16-8-3-2-4-9-16/h2-10,14,21H,11-13H2,1H3.
What are the key properties of 2-[[5-(anilinomethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone?
2-[[5-(anilinomethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone has a molecular weight of 380.47 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(anilinomethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 652858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).