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

C15H11F3N4O — CID 71577282

IUPACN-benzyl-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine
SMILESFC(F)(F)c1nc(-c2ccc(NCc3ccccc3)nc2)no1
InChIInChI=1S/C15H11F3N4O/c16-15(17,18)14-21-13(22-23-14)11-6-7-12(20-9-11)19-8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,19,20)
InChIKeyFHXIUTGJAXSNQD-UHFFFAOYSA-N
MW320.27 g/mol
LogP3.76
Rot. Bonds4

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

N-benzyl-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine (PubChem CID 71577282) has the molecular formula C15H11F3N4O and a molecular weight of 320.27 g/mol. Its IUPAC name is N-benzyl-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-benzyl-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine
PubChem CID71577282
Molecular FormulaC15H11F3N4O
Molecular Weight320.27 g/mol
Exact Mass320.09
IUPAC NameN-benzyl-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine
SMILESFC(F)(F)c1nc(-c2ccc(NCc3ccccc3)nc2)no1
InChIInChI=1S/C15H11F3N4O/c16-15(17,18)14-21-13(22-23-14)11-6-7-12(20-9-11)19-8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,19,20)
InChIKeyFHXIUTGJAXSNQD-UHFFFAOYSA-N
XLogP3.76
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.27
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine?
The IUPAC name of N-benzyl-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine (CID 71577282) is N-benzyl-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine.
What is the SMILES notation for N-benzyl-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine?
The canonical SMILES for N-benzyl-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine is FC(F)(F)c1nc(-c2ccc(NCc3ccccc3)nc2)no1.
What is the InChIKey of N-benzyl-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine?
The InChIKey is FHXIUTGJAXSNQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N4O/c16-15(17,18)14-21-13(22-23-14)11-6-7-12(20-9-11)19-8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,19,20).
What are the key properties of N-benzyl-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine?
N-benzyl-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine has a molecular weight of 320.27 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine is sourced from PubChem (CID 71577282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).