N-benzyl-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-(trifluoromethyl)benzamide

C26H22F3N3O2 — CID 83288859

IUPACN-benzyl-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-(trifluoromethyl)benzamide
SMILESCc1ccc(-c2noc(CCN(Cc3ccccc3)C(=O)c3ccc(C(F)(F)F)cc3)n2)cc1
InChIInChI=1S/C26H22F3N3O2/c1-18-7-9-20(10-8-18)24-30-23(34-31-24)15-16-32(17-19-5-3-2-4-6-19)25(33)21-11-13-22(14-12-21)26(27,28)29/h2-14H,15-17H2,1H3
InChIKeyYRAVKXCGCBUGTJ-UHFFFAOYSA-N
MW465.48 g/mol
LogP5.95
Rot. Bonds7

About N-benzyl-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-(trifluoromethyl)benzamide

N-benzyl-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-(trifluoromethyl)benzamide (PubChem CID 83288859) has the molecular formula C26H22F3N3O2 and a molecular weight of 465.48 g/mol. Its IUPAC name is N-benzyl-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-benzyl-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-(trifluoromethyl)benzamide
PubChem CID83288859
Molecular FormulaC26H22F3N3O2
Molecular Weight465.48 g/mol
Exact Mass465.17
IUPAC NameN-benzyl-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-(trifluoromethyl)benzamide
SMILESCc1ccc(-c2noc(CCN(Cc3ccccc3)C(=O)c3ccc(C(F)(F)F)cc3)n2)cc1
InChIInChI=1S/C26H22F3N3O2/c1-18-7-9-20(10-8-18)24-30-23(34-31-24)15-16-32(17-19-5-3-2-4-6-19)25(33)21-11-13-22(14-12-21)26(27,28)29/h2-14H,15-17H2,1H3
InChIKeyYRAVKXCGCBUGTJ-UHFFFAOYSA-N
XLogP5.95
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.48
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]-N-benzyl-4-(trifluoromethyl)benzamide
CID 83290392
N-(furan-2-ylmethyl)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(trifluoromethyl)benzamide
CID 83279079
4-methyl-N-(2-methylpropyl)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 42808968
N-benzyl-N-[2-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-3-fluorobenzamide
CID 83283231
N-[2-[3-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-(furan-2-ylmethyl)-4-(trifluoromethyl)benzamide
CID 83277254
N-benzyl-2-chloro-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 83290453
N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-(2-phenylethyl)thiophene-2-carboxamide
CID 83288856
N-benzyl-N-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-fluorobenzamide
CID 83290296
5-benzyl-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 23605175
N-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-(furan-2-ylmethyl)-4-methylbenzamide
CID 83277431
N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-(2-methoxyethyl)-4-(trifluoromethyl)benzamide
CID 46133782
N-[2-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]-N-(2-methylpropyl)-4-(trifluoromethyl)benzamide
CID 83280239

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-benzyl-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-(trifluoromethyl)benzamide (CID 83288859) is N-benzyl-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-benzyl-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-benzyl-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-(trifluoromethyl)benzamide is Cc1ccc(-c2noc(CCN(Cc3ccccc3)C(=O)c3ccc(C(F)(F)F)cc3)n2)cc1.
What is the InChIKey of N-benzyl-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-(trifluoromethyl)benzamide?
The InChIKey is YRAVKXCGCBUGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F3N3O2/c1-18-7-9-20(10-8-18)24-30-23(34-31-24)15-16-32(17-19-5-3-2-4-6-19)25(33)21-11-13-22(14-12-21)26(27,28)29/h2-14H,15-17H2,1H3.
What are the key properties of N-benzyl-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-(trifluoromethyl)benzamide?
N-benzyl-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-(trifluoromethyl)benzamide has a molecular weight of 465.48 g/mol, XLogP of 5.95, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 83288859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).