N-[6-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-4-phenyl-1,3-oxazol-2-amine

C26H27N5O3 — CID 156541077

About N-[6-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-4-phenyl-1,3-oxazol-2-amine

N-[6-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-4-phenyl-1,3-oxazol-2-amine (PubChem CID 156541077) has the molecular formula C26H27N5O3 and a molecular weight of 457.53 g/mol. Its IUPAC name is N-[6-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-4-phenyl-1,3-oxazol-2-amine.

Molecular Properties

• Compound Name: N-[6-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-4-phenyl-1,3-oxazol-2-amine
• PubChem CID: 156541077
• Molecular Formula: C26H27N5O3
• Molecular Weight: 457.53 g/mol
• Exact Mass: 457.21
• IUPAC Name: N-[6-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-4-phenyl-1,3-oxazol-2-amine
• SMILES: CCOc1ccccc1O[C@@H]1CCCN(c2cncc(Nc3nc(-c4ccccc4)co3)n2)C1
• InChI: InChI=1S/C26H27N5O3/c1-2-32-22-12-6-7-13-23(22)34-20-11-8-14-31(17-20)25-16-27-15-24(29-25)30-26-28-21(18-33-26)19-9-4-3-5-10-19/h3-7,9-10,12-13,15-16,18,20H,2,8,11,14,17H2,1H3,(H,28,29,30)/t20-/m1/s1
• InChIKey: PILHXTIQGPCNAA-HXUWFJFHSA-N
• XLogP: 5.32
• TPSA: 85.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	457.53
LogP ≤ 5	5.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[6-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-4-phenyl-1,3-oxazol-2-amine?

The IUPAC name of N-[6-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-4-phenyl-1,3-oxazol-2-amine (CID 156541077) is N-[6-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-4-phenyl-1,3-oxazol-2-amine.

What is the SMILES notation for N-[6-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-4-phenyl-1,3-oxazol-2-amine?

The canonical SMILES for N-[6-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-4-phenyl-1,3-oxazol-2-amine is CCOc1ccccc1O[C@@H]1CCCN(c2cncc(Nc3nc(-c4ccccc4)co3)n2)C1.

What is the InChIKey of N-[6-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-4-phenyl-1,3-oxazol-2-amine?

The InChIKey is PILHXTIQGPCNAA-HXUWFJFHSA-N. The full InChI is InChI=1S/C26H27N5O3/c1-2-32-22-12-6-7-13-23(22)34-20-11-8-14-31(17-20)25-16-27-15-24(29-25)30-26-28-21(18-33-26)19-9-4-3-5-10-19/h3-7,9-10,12-13,15-16,18,20H,2,8,11,14,17H2,1H3,(H,28,29,30)/t20-/m1/s1.

What are the key properties of N-[6-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-4-phenyl-1,3-oxazol-2-amine?

N-[6-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-4-phenyl-1,3-oxazol-2-amine has a molecular weight of 457.53 g/mol, XLogP of 5.32, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-4-phenyl-1,3-oxazol-2-amine is sourced from PubChem (CID 156541077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).