5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(1-pyrazol-1-ylpropan-2-yl)pyridin-2-amine

C19H17FN6O — CID 45216000

IUPAC5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(1-pyrazol-1-ylpropan-2-yl)pyridin-2-amine
SMILESCC(Cn1cccn1)Nc1ccc(-c2nc(-c3ccccc3F)no2)cn1
InChIInChI=1S/C19H17FN6O/c1-13(12-26-10-4-9-22-26)23-17-8-7-14(11-21-17)19-24-18(25-27-19)15-5-2-3-6-16(15)20/h2-11,13H,12H2,1H3,(H,21,23)
InChIKeyTVJSFPWFSQBTDS-UHFFFAOYSA-N
MW364.38 g/mol
LogP3.63
Rot. Bonds6

About 5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(1-pyrazol-1-ylpropan-2-yl)pyridin-2-amine

5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(1-pyrazol-1-ylpropan-2-yl)pyridin-2-amine (PubChem CID 45216000) has the molecular formula C19H17FN6O and a molecular weight of 364.38 g/mol. Its IUPAC name is 5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(1-pyrazol-1-ylpropan-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(1-pyrazol-1-ylpropan-2-yl)pyridin-2-amine
PubChem CID45216000
Molecular FormulaC19H17FN6O
Molecular Weight364.38 g/mol
Exact Mass364.14
IUPAC Name5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(1-pyrazol-1-ylpropan-2-yl)pyridin-2-amine
SMILESCC(Cn1cccn1)Nc1ccc(-c2nc(-c3ccccc3F)no2)cn1
InChIInChI=1S/C19H17FN6O/c1-13(12-26-10-4-9-22-26)23-17-8-7-14(11-21-17)19-24-18(25-27-19)15-5-2-3-6-16(15)20/h2-11,13H,12H2,1H3,(H,21,23)
InChIKeyTVJSFPWFSQBTDS-UHFFFAOYSA-N
XLogP3.63
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(1-pyrazol-1-ylpropan-2-yl)pyridin-2-amine?
The IUPAC name of 5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(1-pyrazol-1-ylpropan-2-yl)pyridin-2-amine (CID 45216000) is 5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(1-pyrazol-1-ylpropan-2-yl)pyridin-2-amine.
What is the SMILES notation for 5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(1-pyrazol-1-ylpropan-2-yl)pyridin-2-amine?
The canonical SMILES for 5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(1-pyrazol-1-ylpropan-2-yl)pyridin-2-amine is CC(Cn1cccn1)Nc1ccc(-c2nc(-c3ccccc3F)no2)cn1.
What is the InChIKey of 5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(1-pyrazol-1-ylpropan-2-yl)pyridin-2-amine?
The InChIKey is TVJSFPWFSQBTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN6O/c1-13(12-26-10-4-9-22-26)23-17-8-7-14(11-21-17)19-24-18(25-27-19)15-5-2-3-6-16(15)20/h2-11,13H,12H2,1H3,(H,21,23).
What are the key properties of 5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(1-pyrazol-1-ylpropan-2-yl)pyridin-2-amine?
5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(1-pyrazol-1-ylpropan-2-yl)pyridin-2-amine has a molecular weight of 364.38 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(1-pyrazol-1-ylpropan-2-yl)pyridin-2-amine is sourced from PubChem (CID 45216000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).