1-(2-phenyl-5-pyridin-3-yl-2H-1,3,4-oxadiazol-3-yl)ethanone

C15H13N3O2 — CID 13126391

IUPAC1-(2-phenyl-5-pyridin-3-yl-2H-1,3,4-oxadiazol-3-yl)ethanone
SMILESCC(=O)N1N=C(c2cccnc2)OC1c1ccccc1
InChIInChI=1S/C15H13N3O2/c1-11(19)18-15(12-6-3-2-4-7-12)20-14(17-18)13-8-5-9-16-10-13/h2-10,15H,1H3
InChIKeySPJWONFHBVCGGM-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.32
Rot. Bonds2

About 1-(2-phenyl-5-pyridin-3-yl-2H-1,3,4-oxadiazol-3-yl)ethanone

1-(2-phenyl-5-pyridin-3-yl-2H-1,3,4-oxadiazol-3-yl)ethanone (PubChem CID 13126391) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 1-(2-phenyl-5-pyridin-3-yl-2H-1,3,4-oxadiazol-3-yl)ethanone.

Molecular Properties

Compound Name1-(2-phenyl-5-pyridin-3-yl-2H-1,3,4-oxadiazol-3-yl)ethanone
PubChem CID13126391
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name1-(2-phenyl-5-pyridin-3-yl-2H-1,3,4-oxadiazol-3-yl)ethanone
SMILESCC(=O)N1N=C(c2cccnc2)OC1c1ccccc1
InChIInChI=1S/C15H13N3O2/c1-11(19)18-15(12-6-3-2-4-7-12)20-14(17-18)13-8-5-9-16-10-13/h2-10,15H,1H3
InChIKeySPJWONFHBVCGGM-UHFFFAOYSA-N
XLogP2.32
TPSA54.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-phenyl-5-pyridin-3-yl-2H-1,3,4-oxadiazol-3-yl)ethanone?
The IUPAC name of 1-(2-phenyl-5-pyridin-3-yl-2H-1,3,4-oxadiazol-3-yl)ethanone (CID 13126391) is 1-(2-phenyl-5-pyridin-3-yl-2H-1,3,4-oxadiazol-3-yl)ethanone.
What is the SMILES notation for 1-(2-phenyl-5-pyridin-3-yl-2H-1,3,4-oxadiazol-3-yl)ethanone?
The canonical SMILES for 1-(2-phenyl-5-pyridin-3-yl-2H-1,3,4-oxadiazol-3-yl)ethanone is CC(=O)N1N=C(c2cccnc2)OC1c1ccccc1.
What is the InChIKey of 1-(2-phenyl-5-pyridin-3-yl-2H-1,3,4-oxadiazol-3-yl)ethanone?
The InChIKey is SPJWONFHBVCGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-11(19)18-15(12-6-3-2-4-7-12)20-14(17-18)13-8-5-9-16-10-13/h2-10,15H,1H3.
What are the key properties of 1-(2-phenyl-5-pyridin-3-yl-2H-1,3,4-oxadiazol-3-yl)ethanone?
1-(2-phenyl-5-pyridin-3-yl-2H-1,3,4-oxadiazol-3-yl)ethanone has a molecular weight of 267.29 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenyl-5-pyridin-3-yl-2H-1,3,4-oxadiazol-3-yl)ethanone is sourced from PubChem (CID 13126391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).