1-[5-(6-methyl-3-pyridinyl)-2-(4-phenylphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone

C22H19N3O2 — CID 72708507

IUPAC1-[5-(6-methyl-3-pyridinyl)-2-(4-phenylphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone
SMILESCC(=O)N1N=C(c2ccc(C)nc2)OC1c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H19N3O2/c1-15-8-9-20(14-23-15)21-24-25(16(2)26)22(27-21)19-12-10-18(11-13-19)17-6-4-3-5-7-17/h3-14,22H,1-2H3
InChIKeyDTVLUOMIZMOLMC-UHFFFAOYSA-N
MW357.41 g/mol
LogP4.30
Rot. Bonds3

About 1-[5-(6-methyl-3-pyridinyl)-2-(4-phenylphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone

1-[5-(6-methyl-3-pyridinyl)-2-(4-phenylphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone (PubChem CID 72708507) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is 1-[5-(6-methyl-3-pyridinyl)-2-(4-phenylphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone.

Molecular Properties

Compound Name1-[5-(6-methyl-3-pyridinyl)-2-(4-phenylphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone
PubChem CID72708507
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC Name1-[5-(6-methyl-3-pyridinyl)-2-(4-phenylphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone
SMILESCC(=O)N1N=C(c2ccc(C)nc2)OC1c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H19N3O2/c1-15-8-9-20(14-23-15)21-24-25(16(2)26)22(27-21)19-12-10-18(11-13-19)17-6-4-3-5-7-17/h3-14,22H,1-2H3
InChIKeyDTVLUOMIZMOLMC-UHFFFAOYSA-N
XLogP4.30
TPSA54.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(6-methyl-3-pyridinyl)-2-(4-phenylphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone?
The IUPAC name of 1-[5-(6-methyl-3-pyridinyl)-2-(4-phenylphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone (CID 72708507) is 1-[5-(6-methyl-3-pyridinyl)-2-(4-phenylphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone.
What is the SMILES notation for 1-[5-(6-methyl-3-pyridinyl)-2-(4-phenylphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone?
The canonical SMILES for 1-[5-(6-methyl-3-pyridinyl)-2-(4-phenylphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone is CC(=O)N1N=C(c2ccc(C)nc2)OC1c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-[5-(6-methyl-3-pyridinyl)-2-(4-phenylphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone?
The InChIKey is DTVLUOMIZMOLMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2/c1-15-8-9-20(14-23-15)21-24-25(16(2)26)22(27-21)19-12-10-18(11-13-19)17-6-4-3-5-7-17/h3-14,22H,1-2H3.
What are the key properties of 1-[5-(6-methyl-3-pyridinyl)-2-(4-phenylphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone?
1-[5-(6-methyl-3-pyridinyl)-2-(4-phenylphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone has a molecular weight of 357.41 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(6-methyl-3-pyridinyl)-2-(4-phenylphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone is sourced from PubChem (CID 72708507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).