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

C21H17FN4O — CID 155941527

IUPAC3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(4-methylphenyl)methyl]pyridin-2-amine
SMILESCc1ccc(CNc2ncccc2-c2nc(-c3cccc(F)c3)no2)cc1
InChIInChI=1S/C21H17FN4O/c1-14-7-9-15(10-8-14)13-24-20-18(6-3-11-23-20)21-25-19(26-27-21)16-4-2-5-17(22)12-16/h2-12H,13H2,1H3,(H,23,24)
InChIKeyQGZCXRJIDAMOSJ-UHFFFAOYSA-N
MW360.39 g/mol
LogP4.86
Rot. Bonds5

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

3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(4-methylphenyl)methyl]pyridin-2-amine (PubChem CID 155941527) has the molecular formula C21H17FN4O and a molecular weight of 360.39 g/mol. Its IUPAC name is 3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(4-methylphenyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(4-methylphenyl)methyl]pyridin-2-amine
PubChem CID155941527
Molecular FormulaC21H17FN4O
Molecular Weight360.39 g/mol
Exact Mass360.14
IUPAC Name3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(4-methylphenyl)methyl]pyridin-2-amine
SMILESCc1ccc(CNc2ncccc2-c2nc(-c3cccc(F)c3)no2)cc1
InChIInChI=1S/C21H17FN4O/c1-14-7-9-15(10-8-14)13-24-20-18(6-3-11-23-20)21-25-19(26-27-21)16-4-2-5-17(22)12-16/h2-12H,13H2,1H3,(H,23,24)
InChIKeyQGZCXRJIDAMOSJ-UHFFFAOYSA-N
XLogP4.86
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(4-methylphenyl)methyl]pyridin-2-amine?
The IUPAC name of 3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(4-methylphenyl)methyl]pyridin-2-amine (CID 155941527) is 3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(4-methylphenyl)methyl]pyridin-2-amine.
What is the SMILES notation for 3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(4-methylphenyl)methyl]pyridin-2-amine?
The canonical SMILES for 3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(4-methylphenyl)methyl]pyridin-2-amine is Cc1ccc(CNc2ncccc2-c2nc(-c3cccc(F)c3)no2)cc1.
What is the InChIKey of 3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(4-methylphenyl)methyl]pyridin-2-amine?
The InChIKey is QGZCXRJIDAMOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O/c1-14-7-9-15(10-8-14)13-24-20-18(6-3-11-23-20)21-25-19(26-27-21)16-4-2-5-17(22)12-16/h2-12H,13H2,1H3,(H,23,24).
What are the key properties of 3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(4-methylphenyl)methyl]pyridin-2-amine?
3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(4-methylphenyl)methyl]pyridin-2-amine has a molecular weight of 360.39 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(4-methylphenyl)methyl]pyridin-2-amine is sourced from PubChem (CID 155941527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).