2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone

C10H15N3O2S — CID 4013964

IUPAC2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone
SMILESCCc1nnc(SCC(=O)N2CCCC2)o1
InChIInChI=1S/C10H15N3O2S/c1-2-8-11-12-10(15-8)16-7-9(14)13-5-3-4-6-13/h2-7H2,1H3
InChIKeyUJLMPKWEOVDMJF-UHFFFAOYSA-N
MW241.32 g/mol
LogP1.35
Rot. Bonds4

About 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone

2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone (PubChem CID 4013964) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone
PubChem CID4013964
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Name2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone
SMILESCCc1nnc(SCC(=O)N2CCCC2)o1
InChIInChI=1S/C10H15N3O2S/c1-2-8-11-12-10(15-8)16-7-9(14)13-5-3-4-6-13/h2-7H2,1H3
InChIKeyUJLMPKWEOVDMJF-UHFFFAOYSA-N
XLogP1.35
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone (CID 4013964) is 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone is CCc1nnc(SCC(=O)N2CCCC2)o1.
What is the InChIKey of 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone?
The InChIKey is UJLMPKWEOVDMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-2-8-11-12-10(15-8)16-7-9(14)13-5-3-4-6-13/h2-7H2,1H3.
What are the key properties of 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone?
2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone has a molecular weight of 241.32 g/mol, XLogP of 1.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 4013964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).