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

C20H22N2O2 — CID 3897232

IUPAC1-[5-(4-methylphenyl)-2-(4-propan-2-ylphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone
SMILESCC(=O)N1N=C(c2ccc(C)cc2)OC1c1ccc(C(C)C)cc1
InChIInChI=1S/C20H22N2O2/c1-13(2)16-9-11-18(12-10-16)20-22(15(4)23)21-19(24-20)17-7-5-14(3)6-8-17/h5-13,20H,1-4H3
InChIKeyRHILRVWOEPWGFF-UHFFFAOYSA-N
MW322.41 g/mol
LogP4.36
Rot. Bonds3

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

1-[5-(4-methylphenyl)-2-(4-propan-2-ylphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone (PubChem CID 3897232) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 1-[5-(4-methylphenyl)-2-(4-propan-2-ylphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone.

Molecular Properties

Compound Name1-[5-(4-methylphenyl)-2-(4-propan-2-ylphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone
PubChem CID3897232
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name1-[5-(4-methylphenyl)-2-(4-propan-2-ylphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone
SMILESCC(=O)N1N=C(c2ccc(C)cc2)OC1c1ccc(C(C)C)cc1
InChIInChI=1S/C20H22N2O2/c1-13(2)16-9-11-18(12-10-16)20-22(15(4)23)21-19(24-20)17-7-5-14(3)6-8-17/h5-13,20H,1-4H3
InChIKeyRHILRVWOEPWGFF-UHFFFAOYSA-N
XLogP4.36
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[5-(4-methylphenyl)-2-(4-propan-2-ylphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone with MolForge

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Related Compounds

3-Acetyl-2-(4-bromophenyl)-5-(4-methylphenyl)-2,3-dihydro-1,3,4-oxadiazole
CID 3107369
1-[2,5-bis(4-methylphenyl)-1,3,4-oxadiazol-3(2H)-yl]ethanone
CID 3107378
3-[4-[Benzyl(methyl)amino]butyl]-5-phenyl-1,3,4-oxadiazol-2-one
CID 134152668
3-[4-[(2,4-Dimethylphenyl)methyl-methylamino]butyl]-5-phenyl-1,3,4-oxadiazol-2-one
CID 155518554
1-[2-(4-fluorophenyl)-5-phenyl-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 54579012
1-[5-(4-Chloro-phenyl)-2-(4-isopropyl-phenyl)-[1,3,4]oxadiazol-3-yl]-ethanone
CID 3146024
1-[5-(3-chlorophenyl)-2-[4-(propan-2-yl)phenyl]-1,3,4-oxadiazol-3(2H)-yl]ethanone
CID 3679844
2-(4-Ethylphenyl)-4-nonan-5-yl-1,3,4-oxadiazin-5-one
CID 42631284
2-Benzyl-6-(2-phenylmethoxyethyl)pyridazin-3-one
CID 50899360
2-Benzyl-6-(3-phenylmethoxypropyl)pyridazin-3-one
CID 50899361
1-[(2R)-2-(4-methylphenyl)-5-phenyl-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 53465288
1-(2,5-dinaphthalen-2-yl-2H-1,3,4-oxadiazol-3-yl)ethanone
CID 56951303

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-methylphenyl)-2-(4-propan-2-ylphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone?
The IUPAC name of 1-[5-(4-methylphenyl)-2-(4-propan-2-ylphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone (CID 3897232) is 1-[5-(4-methylphenyl)-2-(4-propan-2-ylphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone.
What is the SMILES notation for 1-[5-(4-methylphenyl)-2-(4-propan-2-ylphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone?
The canonical SMILES for 1-[5-(4-methylphenyl)-2-(4-propan-2-ylphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone is CC(=O)N1N=C(c2ccc(C)cc2)OC1c1ccc(C(C)C)cc1.
What is the InChIKey of 1-[5-(4-methylphenyl)-2-(4-propan-2-ylphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone?
The InChIKey is RHILRVWOEPWGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-13(2)16-9-11-18(12-10-16)20-22(15(4)23)21-19(24-20)17-7-5-14(3)6-8-17/h5-13,20H,1-4H3.
What are the key properties of 1-[5-(4-methylphenyl)-2-(4-propan-2-ylphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone?
1-[5-(4-methylphenyl)-2-(4-propan-2-ylphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone has a molecular weight of 322.41 g/mol, XLogP of 4.36, 3 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-(4-propan-2-ylphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone is sourced from PubChem (CID 3897232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).