5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine

C9H6F3N3O — CID 21938

IUPAC5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(-c2cccc(C(F)(F)F)c2)o1
InChIInChI=1S/C9H6F3N3O/c10-9(11,12)6-3-1-2-5(4-6)7-14-15-8(13)16-7/h1-4H,(H2,13,15)
InChIKeySFKXKVUEXCFQLZ-UHFFFAOYSA-N
MW229.16 g/mol
LogP2.34
Rot. Bonds1

About 5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine

5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine (PubChem CID 21938) has the molecular formula C9H6F3N3O and a molecular weight of 229.16 g/mol. Its IUPAC name is 5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
PubChem CID21938
Molecular FormulaC9H6F3N3O
Molecular Weight229.16 g/mol
Exact Mass229.05
IUPAC Name5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(-c2cccc(C(F)(F)F)c2)o1
InChIInChI=1S/C9H6F3N3O/c10-9(11,12)6-3-1-2-5(4-6)7-14-15-8(13)16-7/h1-4H,(H2,13,15)
InChIKeySFKXKVUEXCFQLZ-UHFFFAOYSA-N
XLogP2.34
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.16
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-Bromophenyl)-1,3,4-oxadiazol-2-amine
CID 356897
5-(4-Chlorophenyl)-1,3,4-oxadiazol-2-amine
CID 356899
1,3,4-Oxadiazole, 2-amino-5-phenyl-
CID 15363
5-(3-Chlorophenyl)-1,3,4-oxadiazol-2-amine
CID 121151
5-(4-Methylphenyl)-1,3,4-oxadiazol-2-amine
CID 356898
5-(3-Bromophenyl)-1,3,4-oxadiazol-2-amine
CID 3490544
2-(3-Methylphenyl)-5-phenyl-1,3,4-oxadiazole
CID 259998
Methyl phenyl-1,3,4-oxadiazole
CID 138101
2,5-Bis(4-fluorophenyl)-1,3,4-oxadiazole
CID 259840
N-(5-Phenyl-1,3,4-oxadiazol-2-yl)acetamide
CID 199264
2-Amino-5-(2-chlorophenyl)-1,3,4-oxadiazole
CID 3694323
2-(3-(Trifluoromethyl)phenyl)-1,3,4-oxadiazole
CID 21962674

Frequently Asked Questions

What is the IUPAC name of 5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine (CID 21938) is 5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine is Nc1nnc(-c2cccc(C(F)(F)F)c2)o1.
What is the InChIKey of 5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is SFKXKVUEXCFQLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3N3O/c10-9(11,12)6-3-1-2-5(4-6)7-14-15-8(13)16-7/h1-4H,(H2,13,15).
What are the key properties of 5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine?
5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 229.16 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 21938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).