1-phenyl-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone

C15H11N3O2S — CID 3136305

IUPAC1-phenyl-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
SMILESO=C(CSc1nnc(-c2ccncc2)o1)c1ccccc1
InChIInChI=1S/C15H11N3O2S/c19-13(11-4-2-1-3-5-11)10-21-15-18-17-14(20-15)12-6-8-16-9-7-12/h1-9H,10H2
InChIKeyYDIOFXQRVLYTMT-UHFFFAOYSA-N
MW297.34 g/mol
LogP3.11
Rot. Bonds5

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

1-phenyl-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone (PubChem CID 3136305) has the molecular formula C15H11N3O2S and a molecular weight of 297.34 g/mol. Its IUPAC name is 1-phenyl-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone.

Molecular Properties

Compound Name1-phenyl-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
PubChem CID3136305
Molecular FormulaC15H11N3O2S
Molecular Weight297.34 g/mol
Exact Mass297.06
IUPAC Name1-phenyl-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
SMILESO=C(CSc1nnc(-c2ccncc2)o1)c1ccccc1
InChIInChI=1S/C15H11N3O2S/c19-13(11-4-2-1-3-5-11)10-21-15-18-17-14(20-15)12-6-8-16-9-7-12/h1-9H,10H2
InChIKeyYDIOFXQRVLYTMT-UHFFFAOYSA-N
XLogP3.11
TPSA68.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone?
The IUPAC name of 1-phenyl-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone (CID 3136305) is 1-phenyl-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone.
What is the SMILES notation for 1-phenyl-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone?
The canonical SMILES for 1-phenyl-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone is O=C(CSc1nnc(-c2ccncc2)o1)c1ccccc1.
What is the InChIKey of 1-phenyl-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone?
The InChIKey is YDIOFXQRVLYTMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O2S/c19-13(11-4-2-1-3-5-11)10-21-15-18-17-14(20-15)12-6-8-16-9-7-12/h1-9H,10H2.
What are the key properties of 1-phenyl-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone?
1-phenyl-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone has a molecular weight of 297.34 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone is sourced from PubChem (CID 3136305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).