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

C16H10F3N3O2 — CID 122581614

IUPACN-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]benzamide
SMILESO=C(Nc1nc(-c2ccc(C(F)(F)F)cc2)no1)c1ccccc1
InChIInChI=1S/C16H10F3N3O2/c17-16(18,19)12-8-6-10(7-9-12)13-20-15(24-22-13)21-14(23)11-4-2-1-3-5-11/h1-9H,(H,20,21,22,23)
InChIKeyLFHZLZIAWUENLI-UHFFFAOYSA-N
MW333.27 g/mol
LogP4.01
Rot. Bonds3

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

N-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]benzamide (PubChem CID 122581614) has the molecular formula C16H10F3N3O2 and a molecular weight of 333.27 g/mol. Its IUPAC name is N-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]benzamide.

Molecular Properties

Compound NameN-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]benzamide
PubChem CID122581614
Molecular FormulaC16H10F3N3O2
Molecular Weight333.27 g/mol
Exact Mass333.07
IUPAC NameN-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]benzamide
SMILESO=C(Nc1nc(-c2ccc(C(F)(F)F)cc2)no1)c1ccccc1
InChIInChI=1S/C16H10F3N3O2/c17-16(18,19)12-8-6-10(7-9-12)13-20-15(24-22-13)21-14(23)11-4-2-1-3-5-11/h1-9H,(H,20,21,22,23)
InChIKeyLFHZLZIAWUENLI-UHFFFAOYSA-N
XLogP4.01
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.27
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]benzoic acid
CID 97057771
5-benzyl-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 23605175
N-naphthalen-2-yl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 175248067
[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl 2-hydroxy-2,2-diphenylacetate
CID 32738664
N-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-(trifluoromethyl)benzamide
CID 83288684
N-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 170341324
N-[2-[(S)-methylsulfinyl]phenyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 99814846
CID 161391832
CID 161391832
N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-(trifluoromethyl)benzamide
CID 83289765
2-methyl-3-phenyl-N-[1-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]cycloprop-2-ene-1-carboxamide
CID 171353424
5-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-3-phenyl-1,2,4-oxadiazole
CID 141185353
N-(5-methyl-1,2,4-oxadiazol-3-yl)-4-(trifluoromethyl)benzamide
CID 15212148

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]benzamide?
The IUPAC name of N-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]benzamide (CID 122581614) is N-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]benzamide.
What is the SMILES notation for N-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]benzamide?
The canonical SMILES for N-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]benzamide is O=C(Nc1nc(-c2ccc(C(F)(F)F)cc2)no1)c1ccccc1.
What is the InChIKey of N-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]benzamide?
The InChIKey is LFHZLZIAWUENLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3N3O2/c17-16(18,19)12-8-6-10(7-9-12)13-20-15(24-22-13)21-14(23)11-4-2-1-3-5-11/h1-9H,(H,20,21,22,23).
What are the key properties of N-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]benzamide?
N-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]benzamide has a molecular weight of 333.27 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]benzamide is sourced from PubChem (CID 122581614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).