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

C20H16N2O — CID 173004863

IUPAC3-phenyl-5-(4-phenylphenyl)-2,3-dihydro-1,2,4-oxadiazole
SMILESc1ccc(-c2ccc(C3=NC(c4ccccc4)NO3)cc2)cc1
InChIInChI=1S/C20H16N2O/c1-3-7-15(8-4-1)16-11-13-18(14-12-16)20-21-19(22-23-20)17-9-5-2-6-10-17/h1-14,19,22H
InChIKeyTWUBIBHGKAEIOJ-UHFFFAOYSA-N
MW300.36 g/mol
LogP4.33
Rot. Bonds3

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

3-phenyl-5-(4-phenylphenyl)-2,3-dihydro-1,2,4-oxadiazole (PubChem CID 173004863) has the molecular formula C20H16N2O and a molecular weight of 300.36 g/mol. Its IUPAC name is 3-phenyl-5-(4-phenylphenyl)-2,3-dihydro-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-phenyl-5-(4-phenylphenyl)-2,3-dihydro-1,2,4-oxadiazole
PubChem CID173004863
Molecular FormulaC20H16N2O
Molecular Weight300.36 g/mol
Exact Mass300.13
IUPAC Name3-phenyl-5-(4-phenylphenyl)-2,3-dihydro-1,2,4-oxadiazole
SMILESc1ccc(-c2ccc(C3=NC(c4ccccc4)NO3)cc2)cc1
InChIInChI=1S/C20H16N2O/c1-3-7-15(8-4-1)16-11-13-18(14-12-16)20-21-19(22-23-20)17-9-5-2-6-10-17/h1-14,19,22H
InChIKeyTWUBIBHGKAEIOJ-UHFFFAOYSA-N
XLogP4.33
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-(4-phenylphenyl)-2,3-dihydro-1,2,4-oxadiazole?
The IUPAC name of 3-phenyl-5-(4-phenylphenyl)-2,3-dihydro-1,2,4-oxadiazole (CID 173004863) is 3-phenyl-5-(4-phenylphenyl)-2,3-dihydro-1,2,4-oxadiazole.
What is the SMILES notation for 3-phenyl-5-(4-phenylphenyl)-2,3-dihydro-1,2,4-oxadiazole?
The canonical SMILES for 3-phenyl-5-(4-phenylphenyl)-2,3-dihydro-1,2,4-oxadiazole is c1ccc(-c2ccc(C3=NC(c4ccccc4)NO3)cc2)cc1.
What is the InChIKey of 3-phenyl-5-(4-phenylphenyl)-2,3-dihydro-1,2,4-oxadiazole?
The InChIKey is TWUBIBHGKAEIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O/c1-3-7-15(8-4-1)16-11-13-18(14-12-16)20-21-19(22-23-20)17-9-5-2-6-10-17/h1-14,19,22H.
What are the key properties of 3-phenyl-5-(4-phenylphenyl)-2,3-dihydro-1,2,4-oxadiazole?
3-phenyl-5-(4-phenylphenyl)-2,3-dihydro-1,2,4-oxadiazole has a molecular weight of 300.36 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-(4-phenylphenyl)-2,3-dihydro-1,2,4-oxadiazole is sourced from PubChem (CID 173004863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).