N-methyl-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide

C25H20F3N3O3 — CID 134047601

IUPACN-methyl-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
SMILESCc1ccc(-c2nnc(-c3ccc(C(=O)N(C)Cc4ccccc4OC(F)(F)F)cc3)o2)cc1
InChIInChI=1S/C25H20F3N3O3/c1-16-7-9-17(10-8-16)22-29-30-23(33-22)18-11-13-19(14-12-18)24(32)31(2)15-20-5-3-4-6-21(20)34-25(26,27)28/h3-14H,15H2,1-2H3
InChIKeyABKOBRRZMZEZQP-UHFFFAOYSA-N
MW467.45 g/mol
LogP5.88
Rot. Bonds6

About N-methyl-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide

N-methyl-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide (PubChem CID 134047601) has the molecular formula C25H20F3N3O3 and a molecular weight of 467.45 g/mol. Its IUPAC name is N-methyl-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide.

Molecular Properties

Compound NameN-methyl-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
PubChem CID134047601
Molecular FormulaC25H20F3N3O3
Molecular Weight467.45 g/mol
Exact Mass467.15
IUPAC NameN-methyl-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
SMILESCc1ccc(-c2nnc(-c3ccc(C(=O)N(C)Cc4ccccc4OC(F)(F)F)cc3)o2)cc1
InChIInChI=1S/C25H20F3N3O3/c1-16-7-9-17(10-8-16)22-29-30-23(33-22)18-11-13-19(14-12-18)24(32)31(2)15-20-5-3-4-6-21(20)34-25(26,27)28/h3-14H,15H2,1-2H3
InChIKeyABKOBRRZMZEZQP-UHFFFAOYSA-N
XLogP5.88
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.45
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-(4-methylphenyl)-2-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 47021295
4-(acetamidomethyl)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 38075934
N-methyl-4-(methylsulfonylmethyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 38075020
N-methyl-3-(4-methylphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
CID 55550183
3-bromo-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 52560868
5-bromo-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide
CID 55550717
5-(4-fluorophenyl)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrazole-4-carboxamide
CID 24661008
4-(cyclopropanecarbonylamino)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 38258141
2-amino-N-methyl-2-(4-methylphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 120666980
1-ethyl-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzotriazole-5-carboxamide
CID 38075234
N-methyl-4-(prop-2-ynylsulfamoyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 38076715
N-[2-(4-fluorophenoxy)ethyl]-N-methyl-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 134031095

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide?
The IUPAC name of N-methyl-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide (CID 134047601) is N-methyl-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide.
What is the SMILES notation for N-methyl-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide?
The canonical SMILES for N-methyl-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide is Cc1ccc(-c2nnc(-c3ccc(C(=O)N(C)Cc4ccccc4OC(F)(F)F)cc3)o2)cc1.
What is the InChIKey of N-methyl-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide?
The InChIKey is ABKOBRRZMZEZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F3N3O3/c1-16-7-9-17(10-8-16)22-29-30-23(33-22)18-11-13-19(14-12-18)24(32)31(2)15-20-5-3-4-6-21(20)34-25(26,27)28/h3-14H,15H2,1-2H3.
What are the key properties of N-methyl-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide?
N-methyl-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide has a molecular weight of 467.45 g/mol, XLogP of 5.88, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide is sourced from PubChem (CID 134047601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).