3-phenyl-5-(1-phenylpropyl)-1,2,4-oxadiazole

C17H16N2O — CID 2960456

IUPAC3-phenyl-5-(1-phenylpropyl)-1,2,4-oxadiazole
SMILESCCC(c1ccccc1)c1nc(-c2ccccc2)no1
InChIInChI=1S/C17H16N2O/c1-2-15(13-9-5-3-6-10-13)17-18-16(19-20-17)14-11-7-4-8-12-14/h3-12,15H,2H2,1H3
InChIKeyMCQHPQSVZAQGAM-UHFFFAOYSA-N
MW264.33 g/mol
LogP4.28
Rot. Bonds4

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

3-phenyl-5-(1-phenylpropyl)-1,2,4-oxadiazole (PubChem CID 2960456) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 3-phenyl-5-(1-phenylpropyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-phenyl-5-(1-phenylpropyl)-1,2,4-oxadiazole
PubChem CID2960456
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name3-phenyl-5-(1-phenylpropyl)-1,2,4-oxadiazole
SMILESCCC(c1ccccc1)c1nc(-c2ccccc2)no1
InChIInChI=1S/C17H16N2O/c1-2-15(13-9-5-3-6-10-13)17-18-16(19-20-17)14-11-7-4-8-12-14/h3-12,15H,2H2,1H3
InChIKeyMCQHPQSVZAQGAM-UHFFFAOYSA-N
XLogP4.28
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 ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-Diphenyl-1,2,4-oxadiazole
CID 136695
3-Methyl-5-phenyl-1,2,4-oxadiazole
CID 136937
5-(4-Methylphenyl)-3-phenyl-1,2,4-oxadiazole
CID 577305
3-Cyclohexyl-5-phenyl-1,2,4-oxadiazole
CID 876263
5-[2-(1-Phenylcyclohexyl)ethyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 56948777
5-Cyclohexyl-3-(p-tolyl)-1,2,4-oxadiazole
CID 867104
5-(2-Fluorophenyl)-3-phenyl-1,2,4-oxadiazole
CID 2876651
3-Benzyl-5-phenyl-1,2,4-oxadiazole
CID 4215501
(3R)-6-cyclohexyl-N-hydroxy-3-(3-phenyl-1,2,4-oxadiazol-5-yl)hexanamide
CID 16748676
1,1,1-Trifluoro-8-(3-phenyl-1,2,4-oxadiazole-5-yl)octane-2-one
CID 46188075
3-Phenyl-5-[2-(1-phenylcyclohexyl)ethyl]-1,2,4-oxadiazole
CID 56948659
N-hydroxy-4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
CID 135358206

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-(1-phenylpropyl)-1,2,4-oxadiazole?
The IUPAC name of 3-phenyl-5-(1-phenylpropyl)-1,2,4-oxadiazole (CID 2960456) is 3-phenyl-5-(1-phenylpropyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-phenyl-5-(1-phenylpropyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-phenyl-5-(1-phenylpropyl)-1,2,4-oxadiazole is CCC(c1ccccc1)c1nc(-c2ccccc2)no1.
What is the InChIKey of 3-phenyl-5-(1-phenylpropyl)-1,2,4-oxadiazole?
The InChIKey is MCQHPQSVZAQGAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-2-15(13-9-5-3-6-10-13)17-18-16(19-20-17)14-11-7-4-8-12-14/h3-12,15H,2H2,1H3.
What are the key properties of 3-phenyl-5-(1-phenylpropyl)-1,2,4-oxadiazole?
3-phenyl-5-(1-phenylpropyl)-1,2,4-oxadiazole has a molecular weight of 264.33 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-(1-phenylpropyl)-1,2,4-oxadiazole is sourced from PubChem (CID 2960456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).