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

C21H17FN4O — CID 53037257

IUPAC5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(4-methylphenyl)methyl]pyridin-2-amine
SMILESCc1ccc(CNc2ccc(-c3nc(-c4ccc(F)cc4)no3)cn2)cc1
InChIInChI=1S/C21H17FN4O/c1-14-2-4-15(5-3-14)12-23-19-11-8-17(13-24-19)21-25-20(26-27-21)16-6-9-18(22)10-7-16/h2-11,13H,12H2,1H3,(H,23,24)
InChIKeyFYSSREWUPOXEKH-UHFFFAOYSA-N
MW360.39 g/mol
LogP4.86
Rot. Bonds5

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

5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(4-methylphenyl)methyl]pyridin-2-amine (PubChem CID 53037257) has the molecular formula C21H17FN4O and a molecular weight of 360.39 g/mol. Its IUPAC name is 5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(4-methylphenyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(4-methylphenyl)methyl]pyridin-2-amine
PubChem CID53037257
Molecular FormulaC21H17FN4O
Molecular Weight360.39 g/mol
Exact Mass360.14
IUPAC Name5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(4-methylphenyl)methyl]pyridin-2-amine
SMILESCc1ccc(CNc2ccc(-c3nc(-c4ccc(F)cc4)no3)cn2)cc1
InChIInChI=1S/C21H17FN4O/c1-14-2-4-15(5-3-14)12-23-19-11-8-17(13-24-19)21-25-20(26-27-21)16-6-9-18(22)10-7-16/h2-11,13H,12H2,1H3,(H,23,24)
InChIKeyFYSSREWUPOXEKH-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 5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(4-methylphenyl)methyl]pyridin-2-amine?
The IUPAC name of 5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(4-methylphenyl)methyl]pyridin-2-amine (CID 53037257) is 5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(4-methylphenyl)methyl]pyridin-2-amine.
What is the SMILES notation for 5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(4-methylphenyl)methyl]pyridin-2-amine?
The canonical SMILES for 5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(4-methylphenyl)methyl]pyridin-2-amine is Cc1ccc(CNc2ccc(-c3nc(-c4ccc(F)cc4)no3)cn2)cc1.
What is the InChIKey of 5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(4-methylphenyl)methyl]pyridin-2-amine?
The InChIKey is FYSSREWUPOXEKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O/c1-14-2-4-15(5-3-14)12-23-19-11-8-17(13-24-19)21-25-20(26-27-21)16-6-9-18(22)10-7-16/h2-11,13H,12H2,1H3,(H,23,24).
What are the key properties of 5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(4-methylphenyl)methyl]pyridin-2-amine?
5-[3-(4-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 5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(4-methylphenyl)methyl]pyridin-2-amine is sourced from PubChem (CID 53037257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).