2-phenyl-5-(1-phenylpropan-2-yl)-1,3,4-oxadiazole

C17H16N2O — CID 71004200

IUPAC2-phenyl-5-(1-phenylpropan-2-yl)-1,3,4-oxadiazole
SMILESCC(Cc1ccccc1)c1nnc(-c2ccccc2)o1
InChIInChI=1S/C17H16N2O/c1-13(12-14-8-4-2-5-9-14)16-18-19-17(20-16)15-10-6-3-7-11-15/h2-11,13H,12H2,1H3
InChIKeyVBKBWQXDNQBQNZ-UHFFFAOYSA-N
MW264.33 g/mol
LogP4.08
Rot. Bonds4

About 2-phenyl-5-(1-phenylpropan-2-yl)-1,3,4-oxadiazole

2-phenyl-5-(1-phenylpropan-2-yl)-1,3,4-oxadiazole (PubChem CID 71004200) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-phenyl-5-(1-phenylpropan-2-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-phenyl-5-(1-phenylpropan-2-yl)-1,3,4-oxadiazole
PubChem CID71004200
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name2-phenyl-5-(1-phenylpropan-2-yl)-1,3,4-oxadiazole
SMILESCC(Cc1ccccc1)c1nnc(-c2ccccc2)o1
InChIInChI=1S/C17H16N2O/c1-13(12-14-8-4-2-5-9-14)16-18-19-17(20-16)15-10-6-3-7-11-15/h2-11,13H,12H2,1H3
InChIKeyVBKBWQXDNQBQNZ-UHFFFAOYSA-N
XLogP4.08
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-phenyl-5-(1-phenylpropan-2-yl)-1,3,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-phenyl-1,3,4-oxadiazol-2-yl)propane-1,2-diamine
CID 67031947
2-(1-methoxyethyl)-5-phenyl-1,3,4-oxadiazole
CID 118528215
2-(1-benzylsulfanylethyl)-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 78807783
1-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-2-amine
CID 84671547
2-phenyl-5-[1-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]-1,3,4-oxadiazole
CID 78807371
ethane;2-phenyl-5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-oxadiazole
CID 144770943
2-[(1R)-1-(4-methylsulfonylpiperazin-1-yl)ethyl]-5-phenyl-1,3,4-oxadiazole
CID 31873148
2-[4-(4-butan-2-ylphenyl)phenyl]-5-phenyl-1,3,4-oxadiazole
CID 23522274
2-[(2S)-1-(4-iodophenyl)propan-2-yl]-5-(3-methyl-1-benzofuran-2-yl)-1,3,4-oxadiazole
CID 159456643
2-butan-2-yl-5-[4-(3-fluorophenyl)phenyl]-1,3,4-oxadiazole
CID 71088442
[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(benzenesulfonamido)acetate
CID 31012168
2-[(1S)-2-phenyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]-1,2-benzothiazol-3-one
CID 71508511

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-(1-phenylpropan-2-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-phenyl-5-(1-phenylpropan-2-yl)-1,3,4-oxadiazole (CID 71004200) is 2-phenyl-5-(1-phenylpropan-2-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-phenyl-5-(1-phenylpropan-2-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-phenyl-5-(1-phenylpropan-2-yl)-1,3,4-oxadiazole is CC(Cc1ccccc1)c1nnc(-c2ccccc2)o1.
What is the InChIKey of 2-phenyl-5-(1-phenylpropan-2-yl)-1,3,4-oxadiazole?
The InChIKey is VBKBWQXDNQBQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-13(12-14-8-4-2-5-9-14)16-18-19-17(20-16)15-10-6-3-7-11-15/h2-11,13H,12H2,1H3.
What are the key properties of 2-phenyl-5-(1-phenylpropan-2-yl)-1,3,4-oxadiazole?
2-phenyl-5-(1-phenylpropan-2-yl)-1,3,4-oxadiazole has a molecular weight of 264.33 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-(1-phenylpropan-2-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 71004200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).