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

C25H20F3N3O2 — CID 10114893

IUPAC4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCc1nnc(-c2ccc(C)c(-c3ccc(C(=O)NCc4ccccc4C(F)(F)F)cc3)c2)o1
InChIInChI=1S/C25H20F3N3O2/c1-15-7-8-19(24-31-30-16(2)33-24)13-21(15)17-9-11-18(12-10-17)23(32)29-14-20-5-3-4-6-22(20)25(26,27)28/h3-13H,14H2,1-2H3,(H,29,32)
InChIKeyNIHWHZJOKBPYRB-UHFFFAOYSA-N
MW451.45 g/mol
LogP5.97
Rot. Bonds5

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

4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide (PubChem CID 10114893) has the molecular formula C25H20F3N3O2 and a molecular weight of 451.45 g/mol. Its IUPAC name is 4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
PubChem CID10114893
Molecular FormulaC25H20F3N3O2
Molecular Weight451.45 g/mol
Exact Mass451.15
IUPAC Name4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCc1nnc(-c2ccc(C)c(-c3ccc(C(=O)NCc4ccccc4C(F)(F)F)cc3)c2)o1
InChIInChI=1S/C25H20F3N3O2/c1-15-7-8-19(24-31-30-16(2)33-24)13-21(15)17-9-11-18(12-10-17)23(32)29-14-20-5-3-4-6-22(20)25(26,27)28/h3-13H,14H2,1-2H3,(H,29,32)
InChIKeyNIHWHZJOKBPYRB-UHFFFAOYSA-N
XLogP5.97
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.45
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide with MolForge

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Related Compounds

N-cyclopropyl-2',6-dimethyl-4'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-3-carboxamide
CID 10089048
N-(cyclopropylmethyl)-2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-4-carboxamide
CID 21078798
N-[(3-methoxyphenyl)methyl]-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 10158652
N-[(4-methoxyphenyl)methyl]-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 10158653
N-[(4-chlorophenyl)methyl]-N-methyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 10159882
N-[(4-chlorophenyl)methyl]-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 10295475
4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-[3-(methylcarbamoyl)phenyl]benzamide
CID 25093463
N-benzyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 25093465
4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-{[3-(morpholin-4-ylmethyl)phenyl]methyl}benzamide
CID 25093466
2-(4-Methylphenyl)-5-(2-naphthyl)-1,3,4-oxadiazole
CID 260000
Mls002695030
CID 260001
N-(3-hydroxypropyl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 11484931

Frequently Asked Questions

What is the IUPAC name of 4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide?
The IUPAC name of 4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide (CID 10114893) is 4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide?
The canonical SMILES for 4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide is Cc1nnc(-c2ccc(C)c(-c3ccc(C(=O)NCc4ccccc4C(F)(F)F)cc3)c2)o1.
What is the InChIKey of 4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide?
The InChIKey is NIHWHZJOKBPYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F3N3O2/c1-15-7-8-19(24-31-30-16(2)33-24)13-21(15)17-9-11-18(12-10-17)23(32)29-14-20-5-3-4-6-22(20)25(26,27)28/h3-13H,14H2,1-2H3,(H,29,32).
What are the key properties of 4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide?
4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide has a molecular weight of 451.45 g/mol, XLogP of 5.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 10114893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).