5-benzyl-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole

C16H11F3N2O — CID 23605175

IUPAC5-benzyl-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
SMILESFC(F)(F)c1ccc(-c2noc(Cc3ccccc3)n2)cc1
InChIInChI=1S/C16H11F3N2O/c17-16(18,19)13-8-6-12(7-9-13)15-20-14(22-21-15)10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKeyAKBOLBGOMPIDED-UHFFFAOYSA-N
MW304.27 g/mol
LogP4.35
Rot. Bonds3

About 5-benzyl-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole

5-benzyl-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole (PubChem CID 23605175) has the molecular formula C16H11F3N2O and a molecular weight of 304.27 g/mol. Its IUPAC name is 5-benzyl-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-benzyl-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
PubChem CID23605175
Molecular FormulaC16H11F3N2O
Molecular Weight304.27 g/mol
Exact Mass304.08
IUPAC Name5-benzyl-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
SMILESFC(F)(F)c1ccc(-c2noc(Cc3ccccc3)n2)cc1
InChIInChI=1S/C16H11F3N2O/c17-16(18,19)13-8-6-12(7-9-13)15-20-14(22-21-15)10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKeyAKBOLBGOMPIDED-UHFFFAOYSA-N
XLogP4.35
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-benzyl-3-phenyl-1,2,4-oxadiazole
CID 752274
3-(4-methylphenyl)-5-[(4-phenylphenyl)methyl]-1,2,4-oxadiazole
CID 8895143
N-benzyl-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-(trifluoromethyl)benzamide
CID 83288859
3-(4-methoxyphenyl)-5-[(4-phenylphenyl)methyl]-1,2,4-oxadiazole
CID 8895154
[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl 2-hydroxy-2,2-diphenylacetate
CID 32738664
N-[4-(5-benzyl-1,2,4-oxadiazol-3-yl)phenyl]-4-fluorobenzamide
CID 17052840
N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 90563058
2-[methyl-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]amino]-1-phenylethanol
CID 45235261
5-(imidazol-1-ylmethyl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 32742768
5-[(4-methylphenyl)methyl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 895193
3-(5-benzyl-1,2,4-oxadiazol-3-yl)aniline
CID 43525256
5-(azepan-1-ylmethyl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 6485769

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 5-benzyl-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole (CID 23605175) is 5-benzyl-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-benzyl-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-benzyl-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole is FC(F)(F)c1ccc(-c2noc(Cc3ccccc3)n2)cc1.
What is the InChIKey of 5-benzyl-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The InChIKey is AKBOLBGOMPIDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O/c17-16(18,19)13-8-6-12(7-9-13)15-20-14(22-21-15)10-11-4-2-1-3-5-11/h1-9H,10H2.
What are the key properties of 5-benzyl-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
5-benzyl-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole has a molecular weight of 304.27 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 23605175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).