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

C20H16FN5O — CID 28809507

IUPAC5-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-(pyridin-3-ylmethyl)pyridin-2-amine
SMILESFc1ccc(Cc2noc(-c3ccc(NCc4cccnc4)nc3)n2)cc1
InChIInChI=1S/C20H16FN5O/c21-17-6-3-14(4-7-17)10-19-25-20(27-26-19)16-5-8-18(24-13-16)23-12-15-2-1-9-22-11-15/h1-9,11,13H,10,12H2,(H,23,24)
InChIKeyYXOWPSYXTZMXRZ-UHFFFAOYSA-N
MW361.38 g/mol
LogP3.87
Rot. Bonds6

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

5-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-(pyridin-3-ylmethyl)pyridin-2-amine (PubChem CID 28809507) has the molecular formula C20H16FN5O and a molecular weight of 361.38 g/mol. Its IUPAC name is 5-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-(pyridin-3-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-(pyridin-3-ylmethyl)pyridin-2-amine
PubChem CID28809507
Molecular FormulaC20H16FN5O
Molecular Weight361.38 g/mol
Exact Mass361.13
IUPAC Name5-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-(pyridin-3-ylmethyl)pyridin-2-amine
SMILESFc1ccc(Cc2noc(-c3ccc(NCc4cccnc4)nc3)n2)cc1
InChIInChI=1S/C20H16FN5O/c21-17-6-3-14(4-7-17)10-19-25-20(27-26-19)16-5-8-18(24-13-16)23-12-15-2-1-9-22-11-15/h1-9,11,13H,10,12H2,(H,23,24)
InChIKeyYXOWPSYXTZMXRZ-UHFFFAOYSA-N
XLogP3.87
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.38
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-3-ylmethyl)pyridin-2-amine
CID 26409598
5-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-(3-imidazol-1-ylpropyl)pyridin-2-amine
CID 29021727
N-[(4-fluorophenyl)methyl]-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
CID 53037152
5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(4-methylphenyl)methyl]pyridin-2-amine
CID 53037257
5-phenyl-3-(pyridin-3-ylmethyl)-1,2,4-oxadiazole
CID 110169330
5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]-N-(2H-tetrazol-5-ylmethyl)pyridin-2-amine
CID 70706972
N-(1,3-benzodioxol-5-ylmethyl)-5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 53126793
5-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[[(2S)-oxan-2-yl]methyl]pyridin-2-amine
CID 42591956
5-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-[2-(1H-pyrazol-4-yl)ethyl]pyridin-2-amine
CID 28766344
N-[4-[(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]acetamide
CID 16680997
2-methyl-5-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 63845758
2-chloro-5-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]aniline
CID 62553257

Frequently Asked Questions

What is the IUPAC name of 5-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-(pyridin-3-ylmethyl)pyridin-2-amine?
The IUPAC name of 5-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-(pyridin-3-ylmethyl)pyridin-2-amine (CID 28809507) is 5-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-(pyridin-3-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 5-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-(pyridin-3-ylmethyl)pyridin-2-amine?
The canonical SMILES for 5-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-(pyridin-3-ylmethyl)pyridin-2-amine is Fc1ccc(Cc2noc(-c3ccc(NCc4cccnc4)nc3)n2)cc1.
What is the InChIKey of 5-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-(pyridin-3-ylmethyl)pyridin-2-amine?
The InChIKey is YXOWPSYXTZMXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5O/c21-17-6-3-14(4-7-17)10-19-25-20(27-26-19)16-5-8-18(24-13-16)23-12-15-2-1-9-22-11-15/h1-9,11,13H,10,12H2,(H,23,24).
What are the key properties of 5-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-(pyridin-3-ylmethyl)pyridin-2-amine?
5-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-(pyridin-3-ylmethyl)pyridin-2-amine has a molecular weight of 361.38 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-(pyridin-3-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 28809507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).