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

C12H11N3OS — CID 858964

IUPAC2-ethylsulfanyl-5-(1H-indol-3-yl)-1,3,4-oxadiazole
SMILESCCSc1nnc(-c2c[nH]c3ccccc23)o1
InChIInChI=1S/C12H11N3OS/c1-2-17-12-15-14-11(16-12)9-7-13-10-6-4-3-5-8(9)10/h3-7,13H,2H2,1H3
InChIKeyWNVSGOFIMXFCJR-UHFFFAOYSA-N
MW245.31 g/mol
LogP3.33
Rot. Bonds3

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

2-ethylsulfanyl-5-(1H-indol-3-yl)-1,3,4-oxadiazole (PubChem CID 858964) has the molecular formula C12H11N3OS and a molecular weight of 245.31 g/mol. Its IUPAC name is 2-ethylsulfanyl-5-(1H-indol-3-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-ethylsulfanyl-5-(1H-indol-3-yl)-1,3,4-oxadiazole
PubChem CID858964
Molecular FormulaC12H11N3OS
Molecular Weight245.31 g/mol
Exact Mass245.06
IUPAC Name2-ethylsulfanyl-5-(1H-indol-3-yl)-1,3,4-oxadiazole
SMILESCCSc1nnc(-c2c[nH]c3ccccc23)o1
InChIInChI=1S/C12H11N3OS/c1-2-17-12-15-14-11(16-12)9-7-13-10-6-4-3-5-8(9)10/h3-7,13H,2H2,1H3
InChIKeyWNVSGOFIMXFCJR-UHFFFAOYSA-N
XLogP3.33
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.31
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-Diethyl-2-[5-(1H-indol-3-yl)-[1,3,4]oxadiazol-2-ylsulfanyl]-acetamide
CID 858944
N-tert-Butyl-2-[5-(1H-indol-3-yl)-[1,3,4]oxadiazol-2-ylsulfanyl]-acetamide
CID 858948
[5-(1H-Indol-3-yl)-[1,3,4]oxadiazol-2-ylsulfanyl]-acetic acid ethyl ester
CID 858960
2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-pentan-2-ylacetamide
CID 5201155
2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(7-ethyl-1H-indol-3-yl)ethanone
CID 8386244
2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(1-methylindol-3-yl)-1,3,4-oxadiazole
CID 14810904
1H-indole-4-carboxylic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester
CID 44142086
2-(1H-indol-3-yl)-5-pyridin-4-yl-1,3,4-oxadiazole
CID 135908466
1-(2-Ethyl-piperidin-1-yl)-2-[5-(1H-indol-3-yl)-[1,3,4]oxadiazol-2-ylsulfanyl]-ethanone
CID 644615
1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-[[2-(3-indolylidene)-3H-1,3,4-oxadiazol-5-yl]thio]ethanone
CID 645250
2-[5-(1H-Indol-3-yl)-[1,3,4]oxadiazol-2-ylsulfanyl]-1-piperidin-1-yl-ethanone
CID 645810
1-(2,6-Dimethyl-piperidin-1-yl)-2-[5-(1H-indol-3-yl)-[1,3,4]oxadiazol-2-ylsulfanyl]-ethanone
CID 649105

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-5-(1H-indol-3-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-ethylsulfanyl-5-(1H-indol-3-yl)-1,3,4-oxadiazole (CID 858964) is 2-ethylsulfanyl-5-(1H-indol-3-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-ethylsulfanyl-5-(1H-indol-3-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-ethylsulfanyl-5-(1H-indol-3-yl)-1,3,4-oxadiazole is CCSc1nnc(-c2c[nH]c3ccccc23)o1.
What is the InChIKey of 2-ethylsulfanyl-5-(1H-indol-3-yl)-1,3,4-oxadiazole?
The InChIKey is WNVSGOFIMXFCJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3OS/c1-2-17-12-15-14-11(16-12)9-7-13-10-6-4-3-5-8(9)10/h3-7,13H,2H2,1H3.
What are the key properties of 2-ethylsulfanyl-5-(1H-indol-3-yl)-1,3,4-oxadiazole?
2-ethylsulfanyl-5-(1H-indol-3-yl)-1,3,4-oxadiazole has a molecular weight of 245.31 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-5-(1H-indol-3-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 858964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).