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

C23H21N3O2 — CID 72708594

IUPAC1-[2-methyl-5-(6-methyl-3-pyridinyl)-2-(4-phenylphenyl)-1,3,4-oxadiazol-3-yl]ethanone
SMILESCC(=O)N1N=C(c2ccc(C)nc2)OC1(C)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H21N3O2/c1-16-9-10-20(15-24-16)22-25-26(17(2)27)23(3,28-22)21-13-11-19(12-14-21)18-7-5-4-6-8-18/h4-15H,1-3H3
InChIKeySCZLUDYYSJDADY-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.47
Rot. Bonds3

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

1-[2-methyl-5-(6-methyl-3-pyridinyl)-2-(4-phenylphenyl)-1,3,4-oxadiazol-3-yl]ethanone (PubChem CID 72708594) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is 1-[2-methyl-5-(6-methyl-3-pyridinyl)-2-(4-phenylphenyl)-1,3,4-oxadiazol-3-yl]ethanone.

Molecular Properties

Compound Name1-[2-methyl-5-(6-methyl-3-pyridinyl)-2-(4-phenylphenyl)-1,3,4-oxadiazol-3-yl]ethanone
PubChem CID72708594
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC Name1-[2-methyl-5-(6-methyl-3-pyridinyl)-2-(4-phenylphenyl)-1,3,4-oxadiazol-3-yl]ethanone
SMILESCC(=O)N1N=C(c2ccc(C)nc2)OC1(C)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H21N3O2/c1-16-9-10-20(15-24-16)22-25-26(17(2)27)23(3,28-22)21-13-11-19(12-14-21)18-7-5-4-6-8-18/h4-15H,1-3H3
InChIKeySCZLUDYYSJDADY-UHFFFAOYSA-N
XLogP4.47
TPSA54.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-5-(6-methyl-3-pyridinyl)-2-(4-phenylphenyl)-1,3,4-oxadiazol-3-yl]ethanone?
The IUPAC name of 1-[2-methyl-5-(6-methyl-3-pyridinyl)-2-(4-phenylphenyl)-1,3,4-oxadiazol-3-yl]ethanone (CID 72708594) is 1-[2-methyl-5-(6-methyl-3-pyridinyl)-2-(4-phenylphenyl)-1,3,4-oxadiazol-3-yl]ethanone.
What is the SMILES notation for 1-[2-methyl-5-(6-methyl-3-pyridinyl)-2-(4-phenylphenyl)-1,3,4-oxadiazol-3-yl]ethanone?
The canonical SMILES for 1-[2-methyl-5-(6-methyl-3-pyridinyl)-2-(4-phenylphenyl)-1,3,4-oxadiazol-3-yl]ethanone is CC(=O)N1N=C(c2ccc(C)nc2)OC1(C)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-[2-methyl-5-(6-methyl-3-pyridinyl)-2-(4-phenylphenyl)-1,3,4-oxadiazol-3-yl]ethanone?
The InChIKey is SCZLUDYYSJDADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2/c1-16-9-10-20(15-24-16)22-25-26(17(2)27)23(3,28-22)21-13-11-19(12-14-21)18-7-5-4-6-8-18/h4-15H,1-3H3.
What are the key properties of 1-[2-methyl-5-(6-methyl-3-pyridinyl)-2-(4-phenylphenyl)-1,3,4-oxadiazol-3-yl]ethanone?
1-[2-methyl-5-(6-methyl-3-pyridinyl)-2-(4-phenylphenyl)-1,3,4-oxadiazol-3-yl]ethanone has a molecular weight of 371.44 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-5-(6-methyl-3-pyridinyl)-2-(4-phenylphenyl)-1,3,4-oxadiazol-3-yl]ethanone is sourced from PubChem (CID 72708594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).