(2S)-1-ethoxy-3-[2-morpholin-4-ylethyl-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]amino]propan-2-ol

C25H38N4O5 — CID 93207992

About (2S)-1-ethoxy-3-[2-morpholin-4-ylethyl-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]amino]propan-2-ol

(2S)-1-ethoxy-3-[2-morpholin-4-ylethyl-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]amino]propan-2-ol (PubChem CID 93207992) has the molecular formula C25H38N4O5 and a molecular weight of 474.60 g/mol. Its IUPAC name is (2S)-1-ethoxy-3-[2-morpholin-4-ylethyl-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]amino]propan-2-ol.

Molecular Properties

• Compound Name: (2S)-1-ethoxy-3-[2-morpholin-4-ylethyl-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]amino]propan-2-ol
• PubChem CID: 93207992
• Molecular Formula: C25H38N4O5
• Molecular Weight: 474.60 g/mol
• Exact Mass: 474.28
• IUPAC Name: (2S)-1-ethoxy-3-[2-morpholin-4-ylethyl-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]amino]propan-2-ol
• SMILES: CCOC[C@@H](O)CN(CCN1CCOCC1)Cc1c(-c2ccccc2)noc1N1CCOCC1
• InChI: InChI=1S/C25H38N4O5/c1-2-31-20-22(30)18-28(9-8-27-10-14-32-15-11-27)19-23-24(21-6-4-3-5-7-21)26-34-25(23)29-12-16-33-17-13-29/h3-7,22,30H,2,8-20H2,1H3/t22-/m0/s1
• InChIKey: VJJNTIFOCSQLMD-QFIPXVFZSA-N
• XLogP: 1.71
• TPSA: 83.67 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	474.60
LogP ≤ 5	1.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (2S)-1-ethoxy-3-[2-morpholin-4-ylethyl-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]amino]propan-2-ol?

The IUPAC name of (2S)-1-ethoxy-3-[2-morpholin-4-ylethyl-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]amino]propan-2-ol (CID 93207992) is (2S)-1-ethoxy-3-[2-morpholin-4-ylethyl-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]amino]propan-2-ol.

What is the SMILES notation for (2S)-1-ethoxy-3-[2-morpholin-4-ylethyl-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]amino]propan-2-ol?

The canonical SMILES for (2S)-1-ethoxy-3-[2-morpholin-4-ylethyl-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]amino]propan-2-ol is CCOC[C@@H](O)CN(CCN1CCOCC1)Cc1c(-c2ccccc2)noc1N1CCOCC1.

What is the InChIKey of (2S)-1-ethoxy-3-[2-morpholin-4-ylethyl-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]amino]propan-2-ol?

The InChIKey is VJJNTIFOCSQLMD-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H38N4O5/c1-2-31-20-22(30)18-28(9-8-27-10-14-32-15-11-27)19-23-24(21-6-4-3-5-7-21)26-34-25(23)29-12-16-33-17-13-29/h3-7,22,30H,2,8-20H2,1H3/t22-/m0/s1.

What are the key properties of (2S)-1-ethoxy-3-[2-morpholin-4-ylethyl-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]amino]propan-2-ol?

(2S)-1-ethoxy-3-[2-morpholin-4-ylethyl-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]amino]propan-2-ol has a molecular weight of 474.60 g/mol, XLogP of 1.71, 12 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-1-ethoxy-3-[2-morpholin-4-ylethyl-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]amino]propan-2-ol is sourced from PubChem (CID 93207992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).