N-phenyl-5-(trifluoromethyl)-1,2,4-oxadiazole-3-carboxamide

C10H6F3N3O2 — CID 576657

IUPACN-phenyl-5-(trifluoromethyl)-1,2,4-oxadiazole-3-carboxamide
SMILESO=C(Nc1ccccc1)c1noc(C(F)(F)F)n1
InChIInChI=1S/C10H6F3N3O2/c11-10(12,13)9-15-7(16-18-9)8(17)14-6-4-2-1-3-5-6/h1-5H,(H,14,17)
InChIKeyKKZIWOYKHJUYRG-UHFFFAOYSA-N
MW257.17 g/mol
LogP2.34
Rot. Bonds2

About N-phenyl-5-(trifluoromethyl)-1,2,4-oxadiazole-3-carboxamide

N-phenyl-5-(trifluoromethyl)-1,2,4-oxadiazole-3-carboxamide (PubChem CID 576657) has the molecular formula C10H6F3N3O2 and a molecular weight of 257.17 g/mol. Its IUPAC name is N-phenyl-5-(trifluoromethyl)-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-phenyl-5-(trifluoromethyl)-1,2,4-oxadiazole-3-carboxamide
PubChem CID576657
Molecular FormulaC10H6F3N3O2
Molecular Weight257.17 g/mol
Exact Mass257.04
IUPAC NameN-phenyl-5-(trifluoromethyl)-1,2,4-oxadiazole-3-carboxamide
SMILESO=C(Nc1ccccc1)c1noc(C(F)(F)F)n1
InChIInChI=1S/C10H6F3N3O2/c11-10(12,13)9-15-7(16-18-9)8(17)14-6-4-2-1-3-5-6/h1-5H,(H,14,17)
InChIKeyKKZIWOYKHJUYRG-UHFFFAOYSA-N
XLogP2.34
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.17
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-phenyl-5-(trichloromethyl)-1,2,4-oxadiazole-3-carboxamide
CID 576836
3-fluoro-N-phenyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 139464968
N-phenyl-4-[1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]cyclopropyl]benzamide
CID 146461203
N-phenyl-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 71550949
2-anilino-5-methyl-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-1,3-thiazole-4-carboxamide
CID 146775812
N-naphthalen-2-yl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 175248067
N-phenyl-1-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrazole-4-carboxamide
CID 155075020
2-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide
CID 99632717
N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 19847727
1-fluoro-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]cyclopropane-1-carboxamide
CID 134366998
N-(4-methylphenyl)-4-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]benzamide
CID 146461205
4-hydroxy-N-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 59581444

Frequently Asked Questions

What is the IUPAC name of N-phenyl-5-(trifluoromethyl)-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of N-phenyl-5-(trifluoromethyl)-1,2,4-oxadiazole-3-carboxamide (CID 576657) is N-phenyl-5-(trifluoromethyl)-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for N-phenyl-5-(trifluoromethyl)-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for N-phenyl-5-(trifluoromethyl)-1,2,4-oxadiazole-3-carboxamide is O=C(Nc1ccccc1)c1noc(C(F)(F)F)n1.
What is the InChIKey of N-phenyl-5-(trifluoromethyl)-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is KKZIWOYKHJUYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3N3O2/c11-10(12,13)9-15-7(16-18-9)8(17)14-6-4-2-1-3-5-6/h1-5H,(H,14,17).
What are the key properties of N-phenyl-5-(trifluoromethyl)-1,2,4-oxadiazole-3-carboxamide?
N-phenyl-5-(trifluoromethyl)-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 257.17 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-5-(trifluoromethyl)-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 576657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).