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

C23H16F3N3O2 — CID 92880072

IUPACN-[(R)-phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-(trifluoromethyl)benzamide
SMILESO=C(N[C@H](c1ccccc1)c1nnc(-c2ccccc2)o1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H16F3N3O2/c24-23(25,26)18-13-11-16(12-14-18)20(30)27-19(15-7-3-1-4-8-15)22-29-28-21(31-22)17-9-5-2-6-10-17/h1-14,19H,(H,27,30)/t19-/m1/s1
InChIKeyGKCLXLLRHOZCKQ-LJQANCHMSA-N
MW423.39 g/mol
LogP5.27
Rot. Bonds5

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

N-[(R)-phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-(trifluoromethyl)benzamide (PubChem CID 92880072) has the molecular formula C23H16F3N3O2 and a molecular weight of 423.39 g/mol. Its IUPAC name is N-[(R)-phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(R)-phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-(trifluoromethyl)benzamide
PubChem CID92880072
Molecular FormulaC23H16F3N3O2
Molecular Weight423.39 g/mol
Exact Mass423.12
IUPAC NameN-[(R)-phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-(trifluoromethyl)benzamide
SMILESO=C(N[C@H](c1ccccc1)c1nnc(-c2ccccc2)o1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H16F3N3O2/c24-23(25,26)18-13-11-16(12-14-18)20(30)27-19(15-7-3-1-4-8-15)22-29-28-21(31-22)17-9-5-2-6-10-17/h1-14,19H,(H,27,30)/t19-/m1/s1
InChIKeyGKCLXLLRHOZCKQ-LJQANCHMSA-N
XLogP5.27
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.39
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethoxy-N-[phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 46377580
N-[(S)-phenyl-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]-4-(trifluoromethyl)benzamide
CID 95099783
N-[(R)-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-4-methylbenzamide
CID 26791742
1-[(S)-phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 92711015
N-[(S)-(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-(trifluoromethyl)benzamide
CID 92873818
N-[(R)-phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]furan-2-carboxamide
CID 92725599
2-bromo-N-[phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 22433640
N-[(S)-(2-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 92711110
N-[(S)-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-4-methoxybenzamide
CID 26791746
4-tert-butyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)-phenylmethyl]benzamide
CID 110322033
2,6-difluoro-N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 46345862
N-[(R)-(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]thiophene-2-carboxamide
CID 92873757

Frequently Asked Questions

What is the IUPAC name of N-[(R)-phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[(R)-phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-(trifluoromethyl)benzamide (CID 92880072) is N-[(R)-phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(R)-phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(R)-phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-(trifluoromethyl)benzamide is O=C(N[C@H](c1ccccc1)c1nnc(-c2ccccc2)o1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[(R)-phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-(trifluoromethyl)benzamide?
The InChIKey is GKCLXLLRHOZCKQ-LJQANCHMSA-N. The full InChI is InChI=1S/C23H16F3N3O2/c24-23(25,26)18-13-11-16(12-14-18)20(30)27-19(15-7-3-1-4-8-15)22-29-28-21(31-22)17-9-5-2-6-10-17/h1-14,19H,(H,27,30)/t19-/m1/s1.
What are the key properties of N-[(R)-phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-(trifluoromethyl)benzamide?
N-[(R)-phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-(trifluoromethyl)benzamide has a molecular weight of 423.39 g/mol, XLogP of 5.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 92880072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).