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

C9H13N3O2S — CID 4275071

IUPAC2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone
SMILESCc1nnc(SCC(=O)N2CCCC2)o1
InChIInChI=1S/C9H13N3O2S/c1-7-10-11-9(14-7)15-6-8(13)12-4-2-3-5-12/h2-6H2,1H3
InChIKeyDFHDAXFIVIZLHD-UHFFFAOYSA-N
MW227.29 g/mol
LogP1.09
Rot. Bonds3

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

2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone (PubChem CID 4275071) has the molecular formula C9H13N3O2S and a molecular weight of 227.29 g/mol. Its IUPAC name is 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone
PubChem CID4275071
Molecular FormulaC9H13N3O2S
Molecular Weight227.29 g/mol
Exact Mass227.07
IUPAC Name2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone
SMILESCc1nnc(SCC(=O)N2CCCC2)o1
InChIInChI=1S/C9H13N3O2S/c1-7-10-11-9(14-7)15-6-8(13)12-4-2-3-5-12/h2-6H2,1H3
InChIKeyDFHDAXFIVIZLHD-UHFFFAOYSA-N
XLogP1.09
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone (CID 4275071) is 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone is Cc1nnc(SCC(=O)N2CCCC2)o1.
What is the InChIKey of 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone?
The InChIKey is DFHDAXFIVIZLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2S/c1-7-10-11-9(14-7)15-6-8(13)12-4-2-3-5-12/h2-6H2,1H3.
What are the key properties of 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone?
2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone has a molecular weight of 227.29 g/mol, XLogP of 1.09, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 4275071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).