4-benzyl-3-(3,5-difluorophenyl)-5-phenyl-5H-1,2,4-oxadiazole

C21H16F2N2O — CID 71722763

IUPAC4-benzyl-3-(3,5-difluorophenyl)-5-phenyl-5H-1,2,4-oxadiazole
SMILESFc1cc(F)cc(C2=NOC(c3ccccc3)N2Cc2ccccc2)c1
InChIInChI=1S/C21H16F2N2O/c22-18-11-17(12-19(23)13-18)20-24-26-21(16-9-5-2-6-10-16)25(20)14-15-7-3-1-4-8-15/h1-13,21H,14H2
InChIKeyCXHRMFVQWLUMPW-UHFFFAOYSA-N
MW350.37 g/mol
LogP4.86
Rot. Bonds4

About 4-benzyl-3-(3,5-difluorophenyl)-5-phenyl-5H-1,2,4-oxadiazole

4-benzyl-3-(3,5-difluorophenyl)-5-phenyl-5H-1,2,4-oxadiazole (PubChem CID 71722763) has the molecular formula C21H16F2N2O and a molecular weight of 350.37 g/mol. Its IUPAC name is 4-benzyl-3-(3,5-difluorophenyl)-5-phenyl-5H-1,2,4-oxadiazole.

Molecular Properties

Compound Name4-benzyl-3-(3,5-difluorophenyl)-5-phenyl-5H-1,2,4-oxadiazole
PubChem CID71722763
Molecular FormulaC21H16F2N2O
Molecular Weight350.37 g/mol
Exact Mass350.12
IUPAC Name4-benzyl-3-(3,5-difluorophenyl)-5-phenyl-5H-1,2,4-oxadiazole
SMILESFc1cc(F)cc(C2=NOC(c3ccccc3)N2Cc2ccccc2)c1
InChIInChI=1S/C21H16F2N2O/c22-18-11-17(12-19(23)13-18)20-24-26-21(16-9-5-2-6-10-16)25(20)14-15-7-3-1-4-8-15/h1-13,21H,14H2
InChIKeyCXHRMFVQWLUMPW-UHFFFAOYSA-N
XLogP4.86
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-Dimethyl-3,5-diphenyl-4,5-dihydro-1,2,4-oxadiazole
CID 7113042
4-(1-Adamantyl)-3,5-diphenyl-4,5-dihydro-1,2,4-oxadiazole
CID 378744
4-(1-Adamantyl)-3-phenyl-5-(3-fluorophenyl)-4,5-dihydro-1,2,4-oxadiazole
CID 378745
4-(1-Adamantyl)-3-phenyl-5-(3-methylphenyl)-4,5-dihydro-1,2,4-oxadiazole
CID 378749
4-(1-Adamantyl)-3-phenyl-5-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2,4-oxadiazole
CID 378750
3,4-bis(4-fluorophenyl)-5-phenyl-5H-1,2,4-oxadiazole
CID 172451028
3,4,5-triphenyl-5H-1,2,4-oxadiazole
CID 10990238
N-[(4-fluorophenyl)methyl]-2-phenyl-N-phenylmethoxyethanamine
CID 15880805
4-tert-butyl-5-(4-methylphenyl)-3-phenyl-5H-1,2,4-oxadiazole
CID 15257620
4-benzyl-3,5-diphenyl-5H-1,2,4-oxadiazole
CID 12674725
N'-[(2-fluorophenyl)methoxy]-2-(piperidin-1-ylmethyl)benzenecarboximidamide
CID 75939506
5-Benzyl-4-butyl-3-(2-fluorophenyl)-5-methyl-1,2,4-oxadiazole
CID 89515446

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-3-(3,5-difluorophenyl)-5-phenyl-5H-1,2,4-oxadiazole?
The IUPAC name of 4-benzyl-3-(3,5-difluorophenyl)-5-phenyl-5H-1,2,4-oxadiazole (CID 71722763) is 4-benzyl-3-(3,5-difluorophenyl)-5-phenyl-5H-1,2,4-oxadiazole.
What is the SMILES notation for 4-benzyl-3-(3,5-difluorophenyl)-5-phenyl-5H-1,2,4-oxadiazole?
The canonical SMILES for 4-benzyl-3-(3,5-difluorophenyl)-5-phenyl-5H-1,2,4-oxadiazole is Fc1cc(F)cc(C2=NOC(c3ccccc3)N2Cc2ccccc2)c1.
What is the InChIKey of 4-benzyl-3-(3,5-difluorophenyl)-5-phenyl-5H-1,2,4-oxadiazole?
The InChIKey is CXHRMFVQWLUMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2N2O/c22-18-11-17(12-19(23)13-18)20-24-26-21(16-9-5-2-6-10-16)25(20)14-15-7-3-1-4-8-15/h1-13,21H,14H2.
What are the key properties of 4-benzyl-3-(3,5-difluorophenyl)-5-phenyl-5H-1,2,4-oxadiazole?
4-benzyl-3-(3,5-difluorophenyl)-5-phenyl-5H-1,2,4-oxadiazole has a molecular weight of 350.37 g/mol, XLogP of 4.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-3-(3,5-difluorophenyl)-5-phenyl-5H-1,2,4-oxadiazole is sourced from PubChem (CID 71722763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).