2-(1H-indol-3-yl)-5-propan-2-ylsulfanyl-1,3,4-oxadiazole

C13H13N3OS — CID 135667478

IUPAC2-(1H-indol-3-yl)-5-propan-2-ylsulfanyl-1,3,4-oxadiazole
SMILESCC(C)Sc1nnc(-c2c[nH]c3ccccc23)o1
InChIInChI=1S/C13H13N3OS/c1-8(2)18-13-16-15-12(17-13)10-7-14-11-6-4-3-5-9(10)11/h3-8,14H,1-2H3
InChIKeyBSZQYXRCLPSIJE-UHFFFAOYSA-N
MW259.33 g/mol
LogP3.72
Rot. Bonds3

About 2-(1H-indol-3-yl)-5-propan-2-ylsulfanyl-1,3,4-oxadiazole

2-(1H-indol-3-yl)-5-propan-2-ylsulfanyl-1,3,4-oxadiazole (PubChem CID 135667478) has the molecular formula C13H13N3OS and a molecular weight of 259.33 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-5-propan-2-ylsulfanyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-5-propan-2-ylsulfanyl-1,3,4-oxadiazole
PubChem CID135667478
Molecular FormulaC13H13N3OS
Molecular Weight259.33 g/mol
Exact Mass259.08
IUPAC Name2-(1H-indol-3-yl)-5-propan-2-ylsulfanyl-1,3,4-oxadiazole
SMILESCC(C)Sc1nnc(-c2c[nH]c3ccccc23)o1
InChIInChI=1S/C13H13N3OS/c1-8(2)18-13-16-15-12(17-13)10-7-14-11-6-4-3-5-9(10)11/h3-8,14H,1-2H3
InChIKeyBSZQYXRCLPSIJE-UHFFFAOYSA-N
XLogP3.72
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(1H-indol-3-yl)-5-propan-2-ylsulfanyl-1,3,4-oxadiazole with MolForge

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

Launch Full Analysis

Related Compounds

2-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-5-(1H-indol-3-yl)-1,3,4-oxadiazole
CID 137303295
N-benzyl-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 4815016
(2R)-N-(4-fluorophenyl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 135763679
N-(4-fluorophenyl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 4817204
N'-[(2S)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoyl]benzohydrazide
CID 135798288
N-(4-bromophenyl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 4815017
2-(1H-indol-3-yl)-5-methyl-1,3,4-oxadiazole
CID 135876288
2-benzylsulfanyl-5-(1H-indol-3-yl)-1,3,4-oxadiazole
CID 858959
(2S)-N-cyclohexyl-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methylpropanamide
CID 135840718
2-(1H-indol-3-yl)-5-[(2-methylphenyl)methylsulfanyl]-1,3,4-oxadiazole
CID 135623350
(2S)-N-(1-adamantyl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 135569634
(2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-one
CID 135778028

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-5-propan-2-ylsulfanyl-1,3,4-oxadiazole?
The IUPAC name of 2-(1H-indol-3-yl)-5-propan-2-ylsulfanyl-1,3,4-oxadiazole (CID 135667478) is 2-(1H-indol-3-yl)-5-propan-2-ylsulfanyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(1H-indol-3-yl)-5-propan-2-ylsulfanyl-1,3,4-oxadiazole?
The canonical SMILES for 2-(1H-indol-3-yl)-5-propan-2-ylsulfanyl-1,3,4-oxadiazole is CC(C)Sc1nnc(-c2c[nH]c3ccccc23)o1.
What is the InChIKey of 2-(1H-indol-3-yl)-5-propan-2-ylsulfanyl-1,3,4-oxadiazole?
The InChIKey is BSZQYXRCLPSIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3OS/c1-8(2)18-13-16-15-12(17-13)10-7-14-11-6-4-3-5-9(10)11/h3-8,14H,1-2H3.
What are the key properties of 2-(1H-indol-3-yl)-5-propan-2-ylsulfanyl-1,3,4-oxadiazole?
2-(1H-indol-3-yl)-5-propan-2-ylsulfanyl-1,3,4-oxadiazole has a molecular weight of 259.33 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-5-propan-2-ylsulfanyl-1,3,4-oxadiazole is sourced from PubChem (CID 135667478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).