2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-piperidin-1-ylethanone

C17H18N4O2S — CID 645810

IUPAC2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-piperidin-1-ylethanone
SMILESO=C(CSc1nnc(-c2c[nH]c3ccccc23)o1)N1CCCCC1
InChIInChI=1S/C17H18N4O2S/c22-15(21-8-4-1-5-9-21)11-24-17-20-19-16(23-17)13-10-18-14-7-3-2-6-12(13)14/h2-3,6-7,10,18H,1,4-5,8-9,11H2
InChIKeyCUODYPSGURGBEO-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.32
Rot. Bonds4

About 2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-piperidin-1-ylethanone

2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-piperidin-1-ylethanone (PubChem CID 645810) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is 2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-piperidin-1-ylethanone
PubChem CID645810
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-piperidin-1-ylethanone
SMILESO=C(CSc1nnc(-c2c[nH]c3ccccc23)o1)N1CCCCC1
InChIInChI=1S/C17H18N4O2S/c22-15(21-8-4-1-5-9-21)11-24-17-20-19-16(23-17)13-10-18-14-7-3-2-6-12(13)14/h2-3,6-7,10,18H,1,4-5,8-9,11H2
InChIKeyCUODYPSGURGBEO-UHFFFAOYSA-N
XLogP3.32
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-piperidin-1-ylethanone (CID 645810) is 2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-piperidin-1-ylethanone is O=C(CSc1nnc(-c2c[nH]c3ccccc23)o1)N1CCCCC1.
What is the InChIKey of 2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-piperidin-1-ylethanone?
The InChIKey is CUODYPSGURGBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c22-15(21-8-4-1-5-9-21)11-24-17-20-19-16(23-17)13-10-18-14-7-3-2-6-12(13)14/h2-3,6-7,10,18H,1,4-5,8-9,11H2.
What are the key properties of 2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-piperidin-1-ylethanone?
2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-piperidin-1-ylethanone has a molecular weight of 342.42 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-piperidin-1-ylethanone is sourced from PubChem (CID 645810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).