2-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-(trifluoromethyl)pyridin-3-amine

C15H10F4N4O — CID 71515698

IUPAC2-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-(trifluoromethyl)pyridin-3-amine
SMILESNc1cc(C(F)(F)F)cnc1-c1nnc(Cc2ccc(F)cc2)o1
InChIInChI=1S/C15H10F4N4O/c16-10-3-1-8(2-4-10)5-12-22-23-14(24-12)13-11(20)6-9(7-21-13)15(17,18)19/h1-4,6-7H,5,20H2
InChIKeySTIDRANHFUGQAF-UHFFFAOYSA-N
MW338.26 g/mol
LogP3.46
Rot. Bonds3

About 2-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-(trifluoromethyl)pyridin-3-amine

2-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-(trifluoromethyl)pyridin-3-amine (PubChem CID 71515698) has the molecular formula C15H10F4N4O and a molecular weight of 338.26 g/mol. Its IUPAC name is 2-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-(trifluoromethyl)pyridin-3-amine.

Molecular Properties

Compound Name2-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-(trifluoromethyl)pyridin-3-amine
PubChem CID71515698
Molecular FormulaC15H10F4N4O
Molecular Weight338.26 g/mol
Exact Mass338.08
IUPAC Name2-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-(trifluoromethyl)pyridin-3-amine
SMILESNc1cc(C(F)(F)F)cnc1-c1nnc(Cc2ccc(F)cc2)o1
InChIInChI=1S/C15H10F4N4O/c16-10-3-1-8(2-4-10)5-12-22-23-14(24-12)13-11(20)6-9(7-21-13)15(17,18)19/h1-4,6-7H,5,20H2
InChIKeySTIDRANHFUGQAF-UHFFFAOYSA-N
XLogP3.46
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.26
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-(trifluoromethyl)pyridin-3-amine?
The IUPAC name of 2-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-(trifluoromethyl)pyridin-3-amine (CID 71515698) is 2-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-(trifluoromethyl)pyridin-3-amine.
What is the SMILES notation for 2-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-(trifluoromethyl)pyridin-3-amine?
The canonical SMILES for 2-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-(trifluoromethyl)pyridin-3-amine is Nc1cc(C(F)(F)F)cnc1-c1nnc(Cc2ccc(F)cc2)o1.
What is the InChIKey of 2-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-(trifluoromethyl)pyridin-3-amine?
The InChIKey is STIDRANHFUGQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F4N4O/c16-10-3-1-8(2-4-10)5-12-22-23-14(24-12)13-11(20)6-9(7-21-13)15(17,18)19/h1-4,6-7H,5,20H2.
What are the key properties of 2-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-(trifluoromethyl)pyridin-3-amine?
2-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-(trifluoromethyl)pyridin-3-amine has a molecular weight of 338.26 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-(trifluoromethyl)pyridin-3-amine is sourced from PubChem (CID 71515698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).