(5S)-3-(2-methylphenyl)-5-(4-phenylphenyl)-2,5-dihydro-1,2,4-oxadiazole

C21H18N2O — CID 2642613

IUPAC(5S)-3-(2-methylphenyl)-5-(4-phenylphenyl)-2,5-dihydro-1,2,4-oxadiazole
SMILESCc1ccccc1C1=N[C@H](c2ccc(-c3ccccc3)cc2)ON1
InChIInChI=1S/C21H18N2O/c1-15-7-5-6-10-19(15)20-22-21(24-23-20)18-13-11-17(12-14-18)16-8-3-2-4-9-16/h2-14,21H,1H3,(H,22,23)/t21-/m0/s1
InChIKeyZVDLAOAHMHPGBA-NRFANRHFSA-N
MW314.39 g/mol
LogP4.64
Rot. Bonds3

About (5S)-3-(2-methylphenyl)-5-(4-phenylphenyl)-2,5-dihydro-1,2,4-oxadiazole

(5S)-3-(2-methylphenyl)-5-(4-phenylphenyl)-2,5-dihydro-1,2,4-oxadiazole (PubChem CID 2642613) has the molecular formula C21H18N2O and a molecular weight of 314.39 g/mol. Its IUPAC name is (5S)-3-(2-methylphenyl)-5-(4-phenylphenyl)-2,5-dihydro-1,2,4-oxadiazole.

Molecular Properties

Compound Name(5S)-3-(2-methylphenyl)-5-(4-phenylphenyl)-2,5-dihydro-1,2,4-oxadiazole
PubChem CID2642613
Molecular FormulaC21H18N2O
Molecular Weight314.39 g/mol
Exact Mass314.14
IUPAC Name(5S)-3-(2-methylphenyl)-5-(4-phenylphenyl)-2,5-dihydro-1,2,4-oxadiazole
SMILESCc1ccccc1C1=N[C@H](c2ccc(-c3ccccc3)cc2)ON1
InChIInChI=1S/C21H18N2O/c1-15-7-5-6-10-19(15)20-22-21(24-23-20)18-13-11-17(12-14-18)16-8-3-2-4-9-16/h2-14,21H,1H3,(H,22,23)/t21-/m0/s1
InChIKeyZVDLAOAHMHPGBA-NRFANRHFSA-N
XLogP4.64
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5S)-3-(2-methylphenyl)-5-(4-phenylphenyl)-2,5-dihydro-1,2,4-oxadiazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5S)-3-(2-methylphenyl)-5-(4-phenylphenyl)-2,5-dihydro-1,2,4-oxadiazole?
The IUPAC name of (5S)-3-(2-methylphenyl)-5-(4-phenylphenyl)-2,5-dihydro-1,2,4-oxadiazole (CID 2642613) is (5S)-3-(2-methylphenyl)-5-(4-phenylphenyl)-2,5-dihydro-1,2,4-oxadiazole.
What is the SMILES notation for (5S)-3-(2-methylphenyl)-5-(4-phenylphenyl)-2,5-dihydro-1,2,4-oxadiazole?
The canonical SMILES for (5S)-3-(2-methylphenyl)-5-(4-phenylphenyl)-2,5-dihydro-1,2,4-oxadiazole is Cc1ccccc1C1=N[C@H](c2ccc(-c3ccccc3)cc2)ON1.
What is the InChIKey of (5S)-3-(2-methylphenyl)-5-(4-phenylphenyl)-2,5-dihydro-1,2,4-oxadiazole?
The InChIKey is ZVDLAOAHMHPGBA-NRFANRHFSA-N. The full InChI is InChI=1S/C21H18N2O/c1-15-7-5-6-10-19(15)20-22-21(24-23-20)18-13-11-17(12-14-18)16-8-3-2-4-9-16/h2-14,21H,1H3,(H,22,23)/t21-/m0/s1.
What are the key properties of (5S)-3-(2-methylphenyl)-5-(4-phenylphenyl)-2,5-dihydro-1,2,4-oxadiazole?
(5S)-3-(2-methylphenyl)-5-(4-phenylphenyl)-2,5-dihydro-1,2,4-oxadiazole has a molecular weight of 314.39 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-(2-methylphenyl)-5-(4-phenylphenyl)-2,5-dihydro-1,2,4-oxadiazole is sourced from PubChem (CID 2642613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).