1,1,1-trifluoro-2-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-2-amine

C11H11F3N4O — CID 79797987

IUPAC1,1,1-trifluoro-2-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
SMILESCc1cccc(-c2noc(C(C)(N)C(F)(F)F)n2)n1
InChIInChI=1S/C11H11F3N4O/c1-6-4-3-5-7(16-6)8-17-9(19-18-8)10(2,15)11(12,13)14/h3-5H,15H2,1-2H3
InChIKeyFYUQJBMYKCAGQW-UHFFFAOYSA-N
MW272.23 g/mol
LogP2.18
Rot. Bonds2

About 1,1,1-trifluoro-2-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-2-amine

1,1,1-trifluoro-2-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-2-amine (PubChem CID 79797987) has the molecular formula C11H11F3N4O and a molecular weight of 272.23 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-2-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-2-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
PubChem CID79797987
Molecular FormulaC11H11F3N4O
Molecular Weight272.23 g/mol
Exact Mass272.09
IUPAC Name1,1,1-trifluoro-2-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
SMILESCc1cccc(-c2noc(C(C)(N)C(F)(F)F)n2)n1
InChIInChI=1S/C11H11F3N4O/c1-6-4-3-5-7(16-6)8-17-9(19-18-8)10(2,15)11(12,13)14/h3-5H,15H2,1-2H3
InChIKeyFYUQJBMYKCAGQW-UHFFFAOYSA-N
XLogP2.18
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.23
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The IUPAC name of 1,1,1-trifluoro-2-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-2-amine (CID 79797987) is 1,1,1-trifluoro-2-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-2-amine.
What is the SMILES notation for 1,1,1-trifluoro-2-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The canonical SMILES for 1,1,1-trifluoro-2-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-2-amine is Cc1cccc(-c2noc(C(C)(N)C(F)(F)F)n2)n1.
What is the InChIKey of 1,1,1-trifluoro-2-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The InChIKey is FYUQJBMYKCAGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4O/c1-6-4-3-5-7(16-6)8-17-9(19-18-8)10(2,15)11(12,13)14/h3-5H,15H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-2-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
1,1,1-trifluoro-2-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-2-amine has a molecular weight of 272.23 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-2-amine is sourced from PubChem (CID 79797987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).