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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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).