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

C23H15F4N3O2 — CID 92873818

IUPACN-[(S)-(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-(trifluoromethyl)benzamide
SMILESO=C(N[C@@H](c1ccc(F)cc1)c1nnc(-c2ccccc2)o1)c1ccccc1C(F)(F)F
InChIInChI=1S/C23H15F4N3O2/c24-16-12-10-14(11-13-16)19(22-30-29-21(32-22)15-6-2-1-3-7-15)28-20(31)17-8-4-5-9-18(17)23(25,26)27/h1-13,19H,(H,28,31)/t19-/m0/s1
InChIKeyOVUPKQWNTKGVHZ-IBGZPJMESA-N
MW441.38 g/mol
LogP5.41
Rot. Bonds5

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

N-[(S)-(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-(trifluoromethyl)benzamide (PubChem CID 92873818) has the molecular formula C23H15F4N3O2 and a molecular weight of 441.38 g/mol. Its IUPAC name is N-[(S)-(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(S)-(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-(trifluoromethyl)benzamide
PubChem CID92873818
Molecular FormulaC23H15F4N3O2
Molecular Weight441.38 g/mol
Exact Mass441.11
IUPAC NameN-[(S)-(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-(trifluoromethyl)benzamide
SMILESO=C(N[C@@H](c1ccc(F)cc1)c1nnc(-c2ccccc2)o1)c1ccccc1C(F)(F)F
InChIInChI=1S/C23H15F4N3O2/c24-16-12-10-14(11-13-16)19(22-30-29-21(32-22)15-6-2-1-3-7-15)28-20(31)17-8-4-5-9-18(17)23(25,26)27/h1-13,19H,(H,28,31)/t19-/m0/s1
InChIKeyOVUPKQWNTKGVHZ-IBGZPJMESA-N
XLogP5.41
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.38
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(R)-(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-methoxybenzamide
CID 92873762
N-[(R)-(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]thiophene-2-carboxamide
CID 92873757
2,6-difluoro-N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 46345862
1-[(S)-phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 92711015
N-[(R)-phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-(trifluoromethyl)benzamide
CID 92880072
2-bromo-N-[phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 22433640
1-(4-chlorophenyl)-3-[(R)-(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]urea
CID 92750553
N-[(S)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-ethoxybenzamide
CID 28718254
N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 50795617
N-[(R)-phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]furan-2-carboxamide
CID 92725599
N-[(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-fluoroaniline
CID 22432811
N-[(S)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-phenylacetamide
CID 28997526

Frequently Asked Questions

What is the IUPAC name of N-[(S)-(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[(S)-(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-(trifluoromethyl)benzamide (CID 92873818) is N-[(S)-(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(S)-(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(S)-(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-(trifluoromethyl)benzamide is O=C(N[C@@H](c1ccc(F)cc1)c1nnc(-c2ccccc2)o1)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[(S)-(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-(trifluoromethyl)benzamide?
The InChIKey is OVUPKQWNTKGVHZ-IBGZPJMESA-N. The full InChI is InChI=1S/C23H15F4N3O2/c24-16-12-10-14(11-13-16)19(22-30-29-21(32-22)15-6-2-1-3-7-15)28-20(31)17-8-4-5-9-18(17)23(25,26)27/h1-13,19H,(H,28,31)/t19-/m0/s1.
What are the key properties of N-[(S)-(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-(trifluoromethyl)benzamide?
N-[(S)-(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-(trifluoromethyl)benzamide has a molecular weight of 441.38 g/mol, XLogP of 5.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 92873818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).