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

C25H20F3N3O2 — CID 10161140

IUPAC4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCc1nnc(-c2ccc(C)c(-c3ccc(C(=O)NCc4ccc(C(F)(F)F)cc4)cc3)c2)o1
InChIInChI=1S/C25H20F3N3O2/c1-15-3-6-20(24-31-30-16(2)33-24)13-22(15)18-7-9-19(10-8-18)23(32)29-14-17-4-11-21(12-5-17)25(26,27)28/h3-13H,14H2,1-2H3,(H,29,32)
InChIKeyINLPTMKGALUIGV-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-[[4-(trifluoromethyl)phenyl]methyl]benzamide

4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide (PubChem CID 10161140) 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-[[4-(trifluoromethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
PubChem CID10161140
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-[[4-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCc1nnc(-c2ccc(C)c(-c3ccc(C(=O)NCc4ccc(C(F)(F)F)cc4)cc3)c2)o1
InChIInChI=1S/C25H20F3N3O2/c1-15-3-6-20(24-31-30-16(2)33-24)13-22(15)18-7-9-19(10-8-18)23(32)29-14-17-4-11-21(12-5-17)25(26,27)28/h3-13H,14H2,1-2H3,(H,29,32)
InChIKeyINLPTMKGALUIGV-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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The IUPAC name of 4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide (CID 10161140) is 4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The canonical SMILES for 4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide is Cc1nnc(-c2ccc(C)c(-c3ccc(C(=O)NCc4ccc(C(F)(F)F)cc4)cc3)c2)o1.
What is the InChIKey of 4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The InChIKey is INLPTMKGALUIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F3N3O2/c1-15-3-6-20(24-31-30-16(2)33-24)13-22(15)18-7-9-19(10-8-18)23(32)29-14-17-4-11-21(12-5-17)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-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-[[4-(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-[[4-(trifluoromethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 10161140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).