N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine

C17H15F3N4O — CID 133378775

IUPACN-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESCC(Nc1ccc(C(F)(F)F)cn1)c1noc(Cc2ccccc2)n1
InChIInChI=1S/C17H15F3N4O/c1-11(22-14-8-7-13(10-21-14)17(18,19)20)16-23-15(25-24-16)9-12-5-3-2-4-6-12/h2-8,10-11H,9H2,1H3,(H,21,22)
InChIKeyHXPNLNATSWOJBH-UHFFFAOYSA-N
MW348.33 g/mol
LogP4.25
Rot. Bonds5

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

N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 133378775) has the molecular formula C17H15F3N4O and a molecular weight of 348.33 g/mol. Its IUPAC name is N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine
PubChem CID133378775
Molecular FormulaC17H15F3N4O
Molecular Weight348.33 g/mol
Exact Mass348.12
IUPAC NameN-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESCC(Nc1ccc(C(F)(F)F)cn1)c1noc(Cc2ccccc2)n1
InChIInChI=1S/C17H15F3N4O/c1-11(22-14-8-7-13(10-21-14)17(18,19)20)16-23-15(25-24-16)9-12-5-3-2-4-6-12/h2-8,10-11H,9H2,1H3,(H,21,22)
InChIKeyHXPNLNATSWOJBH-UHFFFAOYSA-N
XLogP4.25
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.33
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine (CID 133378775) is N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine is CC(Nc1ccc(C(F)(F)F)cn1)c1noc(Cc2ccccc2)n1.
What is the InChIKey of N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is HXPNLNATSWOJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4O/c1-11(22-14-8-7-13(10-21-14)17(18,19)20)16-23-15(25-24-16)9-12-5-3-2-4-6-12/h2-8,10-11H,9H2,1H3,(H,21,22).
What are the key properties of N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine?
N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 348.33 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 133378775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).