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

C13H14N4O2S — CID 6483846

IUPAC2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone
SMILESO=C(CSc1nnc(-c2ccncc2)o1)N1CCCC1
InChIInChI=1S/C13H14N4O2S/c18-11(17-7-1-2-8-17)9-20-13-16-15-12(19-13)10-3-5-14-6-4-10/h3-6H,1-2,7-9H2
InChIKeyYITKXNIXWPJFNW-UHFFFAOYSA-N
MW290.35 g/mol
LogP1.85
Rot. Bonds4

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

2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone (PubChem CID 6483846) has the molecular formula C13H14N4O2S and a molecular weight of 290.35 g/mol. Its IUPAC name is 2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone
PubChem CID6483846
Molecular FormulaC13H14N4O2S
Molecular Weight290.35 g/mol
Exact Mass290.08
IUPAC Name2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone
SMILESO=C(CSc1nnc(-c2ccncc2)o1)N1CCCC1
InChIInChI=1S/C13H14N4O2S/c18-11(17-7-1-2-8-17)9-20-13-16-15-12(19-13)10-3-5-14-6-4-10/h3-6H,1-2,7-9H2
InChIKeyYITKXNIXWPJFNW-UHFFFAOYSA-N
XLogP1.85
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone (CID 6483846) is 2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone is O=C(CSc1nnc(-c2ccncc2)o1)N1CCCC1.
What is the InChIKey of 2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone?
The InChIKey is YITKXNIXWPJFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2S/c18-11(17-7-1-2-8-17)9-20-13-16-15-12(19-13)10-3-5-14-6-4-10/h3-6H,1-2,7-9H2.
What are the key properties of 2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone?
2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone has a molecular weight of 290.35 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 6483846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).