2-(5-benzyl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)pyridin-3-amine

C15H11F3N4O — CID 71515697

IUPAC2-(5-benzyl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)pyridin-3-amine
SMILESNc1cc(C(F)(F)F)cnc1-c1nnc(Cc2ccccc2)o1
InChIInChI=1S/C15H11F3N4O/c16-15(17,18)10-7-11(19)13(20-8-10)14-22-21-12(23-14)6-9-4-2-1-3-5-9/h1-5,7-8H,6,19H2
InChIKeyMQFRCFPMNXWFBY-UHFFFAOYSA-N
MW320.27 g/mol
LogP3.32
Rot. Bonds3

About 2-(5-benzyl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)pyridin-3-amine

2-(5-benzyl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)pyridin-3-amine (PubChem CID 71515697) has the molecular formula C15H11F3N4O and a molecular weight of 320.27 g/mol. Its IUPAC name is 2-(5-benzyl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)pyridin-3-amine.

Molecular Properties

Compound Name2-(5-benzyl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)pyridin-3-amine
PubChem CID71515697
Molecular FormulaC15H11F3N4O
Molecular Weight320.27 g/mol
Exact Mass320.09
IUPAC Name2-(5-benzyl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)pyridin-3-amine
SMILESNc1cc(C(F)(F)F)cnc1-c1nnc(Cc2ccccc2)o1
InChIInChI=1S/C15H11F3N4O/c16-15(17,18)10-7-11(19)13(20-8-10)14-22-21-12(23-14)6-9-4-2-1-3-5-9/h1-5,7-8H,6,19H2
InChIKeyMQFRCFPMNXWFBY-UHFFFAOYSA-N
XLogP3.32
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.27
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-benzyl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)pyridin-3-amine?
The IUPAC name of 2-(5-benzyl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)pyridin-3-amine (CID 71515697) is 2-(5-benzyl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)pyridin-3-amine.
What is the SMILES notation for 2-(5-benzyl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)pyridin-3-amine?
The canonical SMILES for 2-(5-benzyl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)pyridin-3-amine is Nc1cc(C(F)(F)F)cnc1-c1nnc(Cc2ccccc2)o1.
What is the InChIKey of 2-(5-benzyl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)pyridin-3-amine?
The InChIKey is MQFRCFPMNXWFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N4O/c16-15(17,18)10-7-11(19)13(20-8-10)14-22-21-12(23-14)6-9-4-2-1-3-5-9/h1-5,7-8H,6,19H2.
What are the key properties of 2-(5-benzyl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)pyridin-3-amine?
2-(5-benzyl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)pyridin-3-amine has a molecular weight of 320.27 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-benzyl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)pyridin-3-amine is sourced from PubChem (CID 71515697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).