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

C23H16F3N3O2 — CID 126544304

IUPACN-phenyl-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]benzamide
SMILESO=C(c1ccccc1)N(Cc1ccc(-c2nnc(C(F)(F)F)o2)cc1)c1ccccc1
InChIInChI=1S/C23H16F3N3O2/c24-23(25,26)22-28-27-20(31-22)17-13-11-16(12-14-17)15-29(19-9-5-2-6-10-19)21(30)18-7-3-1-4-8-18/h1-14H,15H2
InChIKeyHCJQNEIJIGPMPV-UHFFFAOYSA-N
MW423.39 g/mol
LogP5.60
Rot. Bonds5

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

N-phenyl-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]benzamide (PubChem CID 126544304) has the molecular formula C23H16F3N3O2 and a molecular weight of 423.39 g/mol. Its IUPAC name is N-phenyl-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]benzamide.

Molecular Properties

Compound NameN-phenyl-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]benzamide
PubChem CID126544304
Molecular FormulaC23H16F3N3O2
Molecular Weight423.39 g/mol
Exact Mass423.12
IUPAC NameN-phenyl-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]benzamide
SMILESO=C(c1ccccc1)N(Cc1ccc(-c2nnc(C(F)(F)F)o2)cc1)c1ccccc1
InChIInChI=1S/C23H16F3N3O2/c24-23(25,26)22-28-27-20(31-22)17-13-11-16(12-14-17)15-29(19-9-5-2-6-10-19)21(30)18-7-3-1-4-8-18/h1-14H,15H2
InChIKeyHCJQNEIJIGPMPV-UHFFFAOYSA-N
XLogP5.60
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.39
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]benzamide?
The IUPAC name of N-phenyl-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]benzamide (CID 126544304) is N-phenyl-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]benzamide.
What is the SMILES notation for N-phenyl-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]benzamide?
The canonical SMILES for N-phenyl-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]benzamide is O=C(c1ccccc1)N(Cc1ccc(-c2nnc(C(F)(F)F)o2)cc1)c1ccccc1.
What is the InChIKey of N-phenyl-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]benzamide?
The InChIKey is HCJQNEIJIGPMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F3N3O2/c24-23(25,26)22-28-27-20(31-22)17-13-11-16(12-14-17)15-29(19-9-5-2-6-10-19)21(30)18-7-3-1-4-8-18/h1-14H,15H2.
What are the key properties of N-phenyl-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]benzamide?
N-phenyl-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]benzamide has a molecular weight of 423.39 g/mol, XLogP of 5.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]benzamide is sourced from PubChem (CID 126544304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).