5-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]pyridin-2-amine

C20H22N4O4 — CID 25279341

About 5-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]pyridin-2-amine

5-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]pyridin-2-amine (PubChem CID 25279341) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is 5-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]pyridin-2-amine.

Molecular Properties

• Compound Name: 5-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]pyridin-2-amine
• PubChem CID: 25279341
• Molecular Formula: C20H22N4O4
• Molecular Weight: 382.42 g/mol
• Exact Mass: 382.16
• IUPAC Name: 5-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]pyridin-2-amine
• SMILES: COc1cccc(-c2noc(-c3ccc(NC[C@@H]4CCCO4)nc3)n2)c1OC
• InChI: InChI=1S/C20H22N4O4/c1-25-16-7-3-6-15(18(16)26-2)19-23-20(28-24-19)13-8-9-17(21-11-13)22-12-14-5-4-10-27-14/h3,6-9,11,14H,4-5,10,12H2,1-2H3,(H,21,22)/t14-/m0/s1
• InChIKey: QJEDUNVCEDSDEC-AWEZNQCLSA-N
• XLogP: 3.41
• TPSA: 91.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.42
LogP ≤ 5	3.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]pyridin-2-amine?

The IUPAC name of 5-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]pyridin-2-amine (CID 25279341) is 5-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]pyridin-2-amine.

What is the SMILES notation for 5-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]pyridin-2-amine?

The canonical SMILES for 5-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]pyridin-2-amine is COc1cccc(-c2noc(-c3ccc(NC[C@@H]4CCCO4)nc3)n2)c1OC.

What is the InChIKey of 5-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]pyridin-2-amine?

The InChIKey is QJEDUNVCEDSDEC-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H22N4O4/c1-25-16-7-3-6-15(18(16)26-2)19-23-20(28-24-19)13-8-9-17(21-11-13)22-12-14-5-4-10-27-14/h3,6-9,11,14H,4-5,10,12H2,1-2H3,(H,21,22)/t14-/m0/s1.

What are the key properties of 5-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]pyridin-2-amine?

5-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]pyridin-2-amine has a molecular weight of 382.42 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]pyridin-2-amine is sourced from PubChem (CID 25279341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).