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

C20H22N4O3 — CID 25385689

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

N-[[(2S)-oxan-2-yl]methyl]-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine (PubChem CID 25385689) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-[[(2S)-oxan-2-yl]methyl]-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine.

Molecular Properties

• Compound Name: N-[[(2S)-oxan-2-yl]methyl]-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
• PubChem CID: 25385689
• Molecular Formula: C20H22N4O3
• Molecular Weight: 366.42 g/mol
• Exact Mass: 366.17
• IUPAC Name: N-[[(2S)-oxan-2-yl]methyl]-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
• SMILES: c1ccc(OCc2noc(-c3ccc(NC[C@@H]4CCCCO4)nc3)n2)cc1
• InChI: InChI=1S/C20H22N4O3/c1-2-6-16(7-3-1)26-14-19-23-20(27-24-19)15-9-10-18(21-12-15)22-13-17-8-4-5-11-25-17/h1-3,6-7,9-10,12,17H,4-5,8,11,13-14H2,(H,21,22)/t17-/m0/s1
• InChIKey: CUROHDZJIBQCJW-KRWDZBQOSA-N
• XLogP: 3.69
• TPSA: 82.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	366.42
LogP ≤ 5	3.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[[(2S)-oxan-2-yl]methyl]-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine (CID 25385689) is N-[[(2S)-oxan-2-yl]methyl]-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine.

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

The canonical SMILES for N-[[(2S)-oxan-2-yl]methyl]-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine is c1ccc(OCc2noc(-c3ccc(NC[C@@H]4CCCCO4)nc3)n2)cc1.

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

The InChIKey is CUROHDZJIBQCJW-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-2-6-16(7-3-1)26-14-19-23-20(27-24-19)15-9-10-18(21-12-15)22-13-17-8-4-5-11-25-17/h1-3,6-7,9-10,12,17H,4-5,8,11,13-14H2,(H,21,22)/t17-/m0/s1.

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

N-[[(2S)-oxan-2-yl]methyl]-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine has a molecular weight of 366.42 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(2S)-oxan-2-yl]methyl]-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine is sourced from PubChem (CID 25385689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).