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

C13H13F3N4O — CID 131949106

IUPACN-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1ccc(NCCc2noc(C3CC3)n2)nc1
InChIInChI=1S/C13H13F3N4O/c14-13(15,16)9-3-4-10(18-7-9)17-6-5-11-19-12(21-20-11)8-1-2-8/h3-4,7-8H,1-2,5-6H2,(H,17,18)
InChIKeyNVQBKXXMNVPELU-UHFFFAOYSA-N
MW298.27 g/mol
LogP3.02
Rot. Bonds5

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

N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 131949106) has the molecular formula C13H13F3N4O and a molecular weight of 298.27 g/mol. Its IUPAC name is N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine
PubChem CID131949106
Molecular FormulaC13H13F3N4O
Molecular Weight298.27 g/mol
Exact Mass298.10
IUPAC NameN-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1ccc(NCCc2noc(C3CC3)n2)nc1
InChIInChI=1S/C13H13F3N4O/c14-13(15,16)9-3-4-10(18-7-9)17-6-5-11-19-12(21-20-11)8-1-2-8/h3-4,7-8H,1-2,5-6H2,(H,17,18)
InChIKeyNVQBKXXMNVPELU-UHFFFAOYSA-N
XLogP3.02
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.27
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine (CID 131949106) is N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine is FC(F)(F)c1ccc(NCCc2noc(C3CC3)n2)nc1.
What is the InChIKey of N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is NVQBKXXMNVPELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4O/c14-13(15,16)9-3-4-10(18-7-9)17-6-5-11-19-12(21-20-11)8-1-2-8/h3-4,7-8H,1-2,5-6H2,(H,17,18).
What are the key properties of N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine?
N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 298.27 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 131949106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).