1-[5-(4-methylphenyl)-2-phenyl-2H-1,3,4-oxadiazol-3-yl]ethanone

C17H16N2O2 — CID 54579009

IUPAC1-[5-(4-methylphenyl)-2-phenyl-2H-1,3,4-oxadiazol-3-yl]ethanone
SMILESCC(=O)N1N=C(c2ccc(C)cc2)OC1c1ccccc1
InChIInChI=1S/C17H16N2O2/c1-12-8-10-14(11-9-12)16-18-19(13(2)20)17(21-16)15-6-4-3-5-7-15/h3-11,17H,1-2H3
InChIKeyRJFYWWJFYBTLNV-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.23
Rot. Bonds2

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

1-[5-(4-methylphenyl)-2-phenyl-2H-1,3,4-oxadiazol-3-yl]ethanone (PubChem CID 54579009) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 1-[5-(4-methylphenyl)-2-phenyl-2H-1,3,4-oxadiazol-3-yl]ethanone.

Molecular Properties

Compound Name1-[5-(4-methylphenyl)-2-phenyl-2H-1,3,4-oxadiazol-3-yl]ethanone
PubChem CID54579009
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name1-[5-(4-methylphenyl)-2-phenyl-2H-1,3,4-oxadiazol-3-yl]ethanone
SMILESCC(=O)N1N=C(c2ccc(C)cc2)OC1c1ccccc1
InChIInChI=1S/C17H16N2O2/c1-12-8-10-14(11-9-12)16-18-19(13(2)20)17(21-16)15-6-4-3-5-7-15/h3-11,17H,1-2H3
InChIKeyRJFYWWJFYBTLNV-UHFFFAOYSA-N
XLogP3.23
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-methylphenyl)-2-phenyl-2H-1,3,4-oxadiazol-3-yl]ethanone?
The IUPAC name of 1-[5-(4-methylphenyl)-2-phenyl-2H-1,3,4-oxadiazol-3-yl]ethanone (CID 54579009) is 1-[5-(4-methylphenyl)-2-phenyl-2H-1,3,4-oxadiazol-3-yl]ethanone.
What is the SMILES notation for 1-[5-(4-methylphenyl)-2-phenyl-2H-1,3,4-oxadiazol-3-yl]ethanone?
The canonical SMILES for 1-[5-(4-methylphenyl)-2-phenyl-2H-1,3,4-oxadiazol-3-yl]ethanone is CC(=O)N1N=C(c2ccc(C)cc2)OC1c1ccccc1.
What is the InChIKey of 1-[5-(4-methylphenyl)-2-phenyl-2H-1,3,4-oxadiazol-3-yl]ethanone?
The InChIKey is RJFYWWJFYBTLNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-12-8-10-14(11-9-12)16-18-19(13(2)20)17(21-16)15-6-4-3-5-7-15/h3-11,17H,1-2H3.
What are the key properties of 1-[5-(4-methylphenyl)-2-phenyl-2H-1,3,4-oxadiazol-3-yl]ethanone?
1-[5-(4-methylphenyl)-2-phenyl-2H-1,3,4-oxadiazol-3-yl]ethanone has a molecular weight of 280.33 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-methylphenyl)-2-phenyl-2H-1,3,4-oxadiazol-3-yl]ethanone is sourced from PubChem (CID 54579009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).