5-(4-methylphenyl)-3-phenyl-1,3,4-oxadiazol-2-one

C15H12N2O2 — CID 122393393

IUPAC5-(4-methylphenyl)-3-phenyl-1,3,4-oxadiazol-2-one
SMILESCc1ccc(-c2nn(-c3ccccc3)c(=O)o2)cc1
InChIInChI=1S/C15H12N2O2/c1-11-7-9-12(10-8-11)14-16-17(15(18)19-14)13-5-3-2-4-6-13/h2-10H,1H3
InChIKeyVKBXKLCFXFHGIM-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.80
Rot. Bonds2

About 5-(4-methylphenyl)-3-phenyl-1,3,4-oxadiazol-2-one

5-(4-methylphenyl)-3-phenyl-1,3,4-oxadiazol-2-one (PubChem CID 122393393) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is 5-(4-methylphenyl)-3-phenyl-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-(4-methylphenyl)-3-phenyl-1,3,4-oxadiazol-2-one
PubChem CID122393393
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name5-(4-methylphenyl)-3-phenyl-1,3,4-oxadiazol-2-one
SMILESCc1ccc(-c2nn(-c3ccccc3)c(=O)o2)cc1
InChIInChI=1S/C15H12N2O2/c1-11-7-9-12(10-8-11)14-16-17(15(18)19-14)13-5-3-2-4-6-13/h2-10H,1H3
InChIKeyVKBXKLCFXFHGIM-UHFFFAOYSA-N
XLogP2.80
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-Diphenyl-1,3,4-oxadiazol-2(3H)-one
CID 12412581
2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-methyl-N-phenylacetamide
CID 17488468
3-(4-Chlorophenyl)-5-phenyl-1,3,4-oxadiazol-2-one
CID 44408461
5-(4-Fluorophenyl)-3-phenyl-1,3,4-oxadiazol-2-one
CID 134966944
3-(4-Methylphenyl)-5-phenyl-1,3,4-oxadiazol-2-one
CID 85831350
2,4-Diphenyl-1,3,4-oxadiazole
CID 22506422
5-Benzyl-3-phenyl-1,3,4-oxadiazol-2-one
CID 12518891
2-[5-(2,6-Difluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]benzonitrile
CID 23042028
5-(2,4-Difluorophenyl)-3-[2-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-one
CID 23042030
5-(2-Chlorophenyl)-3-(2-fluorophenyl)-1,3,4-oxadiazol-2-one
CID 23042033
5-(2-Chloro-6-fluorophenyl)-3-(2-methylphenyl)-1,3,4-oxadiazol-2-one
CID 23042038
5-(2,6-Difluorophenyl)-3-(2-fluorophenyl)-1,3,4-oxadiazol-2-one
CID 23042051

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-3-phenyl-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-(4-methylphenyl)-3-phenyl-1,3,4-oxadiazol-2-one (CID 122393393) is 5-(4-methylphenyl)-3-phenyl-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-(4-methylphenyl)-3-phenyl-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-(4-methylphenyl)-3-phenyl-1,3,4-oxadiazol-2-one is Cc1ccc(-c2nn(-c3ccccc3)c(=O)o2)cc1.
What is the InChIKey of 5-(4-methylphenyl)-3-phenyl-1,3,4-oxadiazol-2-one?
The InChIKey is VKBXKLCFXFHGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c1-11-7-9-12(10-8-11)14-16-17(15(18)19-14)13-5-3-2-4-6-13/h2-10H,1H3.
What are the key properties of 5-(4-methylphenyl)-3-phenyl-1,3,4-oxadiazol-2-one?
5-(4-methylphenyl)-3-phenyl-1,3,4-oxadiazol-2-one has a molecular weight of 252.27 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-3-phenyl-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 122393393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).