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

C16H11N3O2S — CID 644928

IUPAC2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-2,3-dihydroinden-1-one
SMILESO=C1c2ccccc2CC1Sc1nnc(-c2ccccn2)o1
InChIInChI=1S/C16H11N3O2S/c20-14-11-6-2-1-5-10(11)9-13(14)22-16-19-18-15(21-16)12-7-3-4-8-17-12/h1-8,13H,9H2
InChIKeyQOCFKGGXRDXLCD-UHFFFAOYSA-N
MW309.35 g/mol
LogP3.03
Rot. Bonds3

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

2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-2,3-dihydroinden-1-one (PubChem CID 644928) has the molecular formula C16H11N3O2S and a molecular weight of 309.35 g/mol. Its IUPAC name is 2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-2,3-dihydroinden-1-one
PubChem CID644928
Molecular FormulaC16H11N3O2S
Molecular Weight309.35 g/mol
Exact Mass309.06
IUPAC Name2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-2,3-dihydroinden-1-one
SMILESO=C1c2ccccc2CC1Sc1nnc(-c2ccccn2)o1
InChIInChI=1S/C16H11N3O2S/c20-14-11-6-2-1-5-10(11)9-13(14)22-16-19-18-15(21-16)12-7-3-4-8-17-12/h1-8,13H,9H2
InChIKeyQOCFKGGXRDXLCD-UHFFFAOYSA-N
XLogP3.03
TPSA68.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-2,3-dihydroinden-1-one?
The IUPAC name of 2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-2,3-dihydroinden-1-one (CID 644928) is 2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-2,3-dihydroinden-1-one.
What is the SMILES notation for 2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-2,3-dihydroinden-1-one?
The canonical SMILES for 2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-2,3-dihydroinden-1-one is O=C1c2ccccc2CC1Sc1nnc(-c2ccccn2)o1.
What is the InChIKey of 2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-2,3-dihydroinden-1-one?
The InChIKey is QOCFKGGXRDXLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O2S/c20-14-11-6-2-1-5-10(11)9-13(14)22-16-19-18-15(21-16)12-7-3-4-8-17-12/h1-8,13H,9H2.
What are the key properties of 2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-2,3-dihydroinden-1-one?
2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-2,3-dihydroinden-1-one has a molecular weight of 309.35 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-2,3-dihydroinden-1-one is sourced from PubChem (CID 644928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).