1-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-one

Name: 1-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-one — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₀H₉N₃O₂S — CID 975383

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC1-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-one

SMILESCC(=O)CSc1nnc(-c2cccnc2)o1

InChIInChI=1S/C10H9N3O2S/c1-7(14)6-16-10-13-12-9(15-10)8-3-2-4-11-5-8/h2-5H,6H2,1H3

InChIKeyZUWCGPXMMPUXAM-UHFFFAOYSA-N

MW235.27 g/mol

LogP1.81

Rot. Bonds4

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

1-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-one (PubChem CID 975383) has the molecular formula C₁₀H₉N₃O₂S and a molecular weight of 235.27 g/mol. Its IUPAC name is 1-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-one.

Molecular Properties

Compound Name	1-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-one
PubChem CID	975383
Molecular Formula	C₁₀H₉N₃O₂S
Molecular Weight	235.27 g/mol
Exact Mass	235.04
IUPAC Name	1-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-one
SMILES	CC(=O)CSc1nnc(-c2cccnc2)o1
InChI	InChI=1S/C10H9N3O2S/c1-7(14)6-16-10-13-12-9(15-10)8-3-2-4-11-5-8/h2-5H,6H2,1H3
InChIKey	ZUWCGPXMMPUXAM-UHFFFAOYSA-N
XLogP	1.81
TPSA	68.88 Å²
H-Bond Donors
H-Bond Acceptors	6
Rotatable Bonds	4
Heavy Atoms	16
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	235.27
LogP ≤ 5	1.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-one?

The IUPAC name of 1-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-one (CID 975383) is 1-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-one.

What is the SMILES notation for 1-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-one?

The canonical SMILES for 1-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-one is CC(=O)CSc1nnc(-c2cccnc2)o1.

What is the InChIKey of 1-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-one?

The InChIKey is ZUWCGPXMMPUXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2S/c1-7(14)6-16-10-13-12-9(15-10)8-3-2-4-11-5-8/h2-5H,6H2,1H3.

What are the key properties of 1-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-one?

1-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-one has a molecular weight of 235.27 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-one is sourced from PubChem (CID 975383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 975383 — identifiers, structure, computed properties (public domain)

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