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

C15H11F3N4O — CID 14951345

IUPAC5-[2-[3-(trifluoromethyl)anilino]phenyl]-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(-c2ccccc2Nc2cccc(C(F)(F)F)c2)o1
InChIInChI=1S/C15H11F3N4O/c16-15(17,18)9-4-3-5-10(8-9)20-12-7-2-1-6-11(12)13-21-22-14(19)23-13/h1-8,20H,(H2,19,22)
InChIKeyBBIMKXPVTBCZCX-UHFFFAOYSA-N
MW320.27 g/mol
LogP4.08
Rot. Bonds3

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

5-[2-[3-(trifluoromethyl)anilino]phenyl]-1,3,4-oxadiazol-2-amine (PubChem CID 14951345) has the molecular formula C15H11F3N4O and a molecular weight of 320.27 g/mol. Its IUPAC name is 5-[2-[3-(trifluoromethyl)anilino]phenyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[2-[3-(trifluoromethyl)anilino]phenyl]-1,3,4-oxadiazol-2-amine
PubChem CID14951345
Molecular FormulaC15H11F3N4O
Molecular Weight320.27 g/mol
Exact Mass320.09
IUPAC Name5-[2-[3-(trifluoromethyl)anilino]phenyl]-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(-c2ccccc2Nc2cccc(C(F)(F)F)c2)o1
InChIInChI=1S/C15H11F3N4O/c16-15(17,18)9-4-3-5-10(8-9)20-12-7-2-1-6-11(12)13-21-22-14(19)23-13/h1-8,20H,(H2,19,22)
InChIKeyBBIMKXPVTBCZCX-UHFFFAOYSA-N
XLogP4.08
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.27
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[3-(trifluoromethyl)anilino]phenyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[2-[3-(trifluoromethyl)anilino]phenyl]-1,3,4-oxadiazol-2-amine (CID 14951345) is 5-[2-[3-(trifluoromethyl)anilino]phenyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[2-[3-(trifluoromethyl)anilino]phenyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[2-[3-(trifluoromethyl)anilino]phenyl]-1,3,4-oxadiazol-2-amine is Nc1nnc(-c2ccccc2Nc2cccc(C(F)(F)F)c2)o1.
What is the InChIKey of 5-[2-[3-(trifluoromethyl)anilino]phenyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is BBIMKXPVTBCZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N4O/c16-15(17,18)9-4-3-5-10(8-9)20-12-7-2-1-6-11(12)13-21-22-14(19)23-13/h1-8,20H,(H2,19,22).
What are the key properties of 5-[2-[3-(trifluoromethyl)anilino]phenyl]-1,3,4-oxadiazol-2-amine?
5-[2-[3-(trifluoromethyl)anilino]phenyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 320.27 g/mol, XLogP of 4.08, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[3-(trifluoromethyl)anilino]phenyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 14951345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).