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

C20H17N5O2 — CID 26409598

IUPAC5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-3-ylmethyl)pyridin-2-amine
SMILESc1ccc(OCc2noc(-c3ccc(NCc4cccnc4)nc3)n2)cc1
InChIInChI=1S/C20H17N5O2/c1-2-6-17(7-3-1)26-14-19-24-20(27-25-19)16-8-9-18(23-13-16)22-12-15-5-4-10-21-11-15/h1-11,13H,12,14H2,(H,22,23)
InChIKeyKNXYVFJTQNZLGO-UHFFFAOYSA-N
MW359.39 g/mol
LogP3.72
Rot. Bonds7

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

5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-3-ylmethyl)pyridin-2-amine (PubChem CID 26409598) has the molecular formula C20H17N5O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is 5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-3-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-3-ylmethyl)pyridin-2-amine
PubChem CID26409598
Molecular FormulaC20H17N5O2
Molecular Weight359.39 g/mol
Exact Mass359.14
IUPAC Name5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-3-ylmethyl)pyridin-2-amine
SMILESc1ccc(OCc2noc(-c3ccc(NCc4cccnc4)nc3)n2)cc1
InChIInChI=1S/C20H17N5O2/c1-2-6-17(7-3-1)26-14-19-24-20(27-25-19)16-8-9-18(23-13-16)22-12-15-5-4-10-21-11-15/h1-11,13H,12,14H2,(H,22,23)
InChIKeyKNXYVFJTQNZLGO-UHFFFAOYSA-N
XLogP3.72
TPSA85.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-(pyridin-3-ylmethyl)pyridin-2-amine
CID 28809507
N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 28685485
N-[[(2S)-oxan-2-yl]methyl]-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 25385689
N-(oxan-2-ylmethyl)-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 45196290
5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-N-[(2R)-1-pyrazin-2-ylpropan-2-yl]pyridin-2-amine
CID 26329906
5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]-N-(2H-tetrazol-5-ylmethyl)pyridin-2-amine
CID 70706972
5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol
CID 63844535
5-phenyl-3-(pyridin-3-ylmethyl)-1,2,4-oxadiazole
CID 110169330
N-[(4-fluorophenyl)methyl]-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
CID 53037152
2-bromo-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 104937955
3-[(4-methoxyphenoxy)methyl]-5-phenyl-1,2,4-oxadiazole
CID 42692255
5-[6-[3-[(1S)-1-methoxyethyl]phenyl]-3-pyridinyl]-3-(phenoxymethyl)-1,2,4-oxadiazole
CID 95716077

Frequently Asked Questions

What is the IUPAC name of 5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-3-ylmethyl)pyridin-2-amine?
The IUPAC name of 5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-3-ylmethyl)pyridin-2-amine (CID 26409598) is 5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-3-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-3-ylmethyl)pyridin-2-amine?
The canonical SMILES for 5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-3-ylmethyl)pyridin-2-amine is c1ccc(OCc2noc(-c3ccc(NCc4cccnc4)nc3)n2)cc1.
What is the InChIKey of 5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-3-ylmethyl)pyridin-2-amine?
The InChIKey is KNXYVFJTQNZLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2/c1-2-6-17(7-3-1)26-14-19-24-20(27-25-19)16-8-9-18(23-13-16)22-12-15-5-4-10-21-11-15/h1-11,13H,12,14H2,(H,22,23).
What are the key properties of 5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-3-ylmethyl)pyridin-2-amine?
5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-3-ylmethyl)pyridin-2-amine has a molecular weight of 359.39 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-3-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 26409598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).