(2R)-N-(3-amino-1,2-benzoxazol-6-yl)-2-[(2R)-6,6-dimethyl-3-oxo-4-(1-pyridazin-4-ylpyrazol-3-yl)morpholin-2-yl]-2-hydroxyacetamide

C22H22N8O5 — CID 90319407

About (2R)-N-(3-amino-1,2-benzoxazol-6-yl)-2-[(2R)-6,6-dimethyl-3-oxo-4-(1-pyridazin-4-ylpyrazol-3-yl)morpholin-2-yl]-2-hydroxyacetamide

(2R)-N-(3-amino-1,2-benzoxazol-6-yl)-2-[(2R)-6,6-dimethyl-3-oxo-4-(1-pyridazin-4-ylpyrazol-3-yl)morpholin-2-yl]-2-hydroxyacetamide (PubChem CID 90319407) has the molecular formula C22H22N8O5 and a molecular weight of 478.47 g/mol. Its IUPAC name is (2R)-N-(3-amino-1,2-benzoxazol-6-yl)-2-[(2R)-6,6-dimethyl-3-oxo-4-(1-pyridazin-4-ylpyrazol-3-yl)morpholin-2-yl]-2-hydroxyacetamide.

Molecular Properties

• Compound Name: (2R)-N-(3-amino-1,2-benzoxazol-6-yl)-2-[(2R)-6,6-dimethyl-3-oxo-4-(1-pyridazin-4-ylpyrazol-3-yl)morpholin-2-yl]-2-hydroxyacetamide
• PubChem CID: 90319407
• Molecular Formula: C22H22N8O5
• Molecular Weight: 478.47 g/mol
• Exact Mass: 478.17
• IUPAC Name: (2R)-N-(3-amino-1,2-benzoxazol-6-yl)-2-[(2R)-6,6-dimethyl-3-oxo-4-(1-pyridazin-4-ylpyrazol-3-yl)morpholin-2-yl]-2-hydroxyacetamide
• SMILES: CC1(C)CN(c2ccn(-c3ccnnc3)n2)C(=O)[C@@H]([C@@H](O)C(=O)Nc2ccc3c(N)noc3c2)O1
• InChI: InChI=1S/C22H22N8O5/c1-22(2)11-29(16-6-8-30(27-16)13-5-7-24-25-10-13)21(33)18(34-22)17(31)20(32)26-12-3-4-14-15(9-12)35-28-19(14)23/h3-10,17-18,31H,11H2,1-2H3,(H2,23,28)(H,26,32)/t17-,18-/m1/s1
• InChIKey: ASDCGPTXEZOWPG-QZTJIDSGSA-N
• XLogP: 0.90
• TPSA: 174.52 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	478.47
LogP ≤ 5	0.90
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-amino-1,2-benzoxazol-6-yl)-2-[(2R)-6,6-dimethyl-3-oxo-4-(1-pyridazin-4-ylpyrazol-3-yl)morpholin-2-yl]-2-hydroxyacetamide?

The IUPAC name of (2R)-N-(3-amino-1,2-benzoxazol-6-yl)-2-[(2R)-6,6-dimethyl-3-oxo-4-(1-pyridazin-4-ylpyrazol-3-yl)morpholin-2-yl]-2-hydroxyacetamide (CID 90319407) is (2R)-N-(3-amino-1,2-benzoxazol-6-yl)-2-[(2R)-6,6-dimethyl-3-oxo-4-(1-pyridazin-4-ylpyrazol-3-yl)morpholin-2-yl]-2-hydroxyacetamide.

What is the SMILES notation for (2R)-N-(3-amino-1,2-benzoxazol-6-yl)-2-[(2R)-6,6-dimethyl-3-oxo-4-(1-pyridazin-4-ylpyrazol-3-yl)morpholin-2-yl]-2-hydroxyacetamide?

The canonical SMILES for (2R)-N-(3-amino-1,2-benzoxazol-6-yl)-2-[(2R)-6,6-dimethyl-3-oxo-4-(1-pyridazin-4-ylpyrazol-3-yl)morpholin-2-yl]-2-hydroxyacetamide is CC1(C)CN(c2ccn(-c3ccnnc3)n2)C(=O)[C@@H]([C@@H](O)C(=O)Nc2ccc3c(N)noc3c2)O1.

What is the InChIKey of (2R)-N-(3-amino-1,2-benzoxazol-6-yl)-2-[(2R)-6,6-dimethyl-3-oxo-4-(1-pyridazin-4-ylpyrazol-3-yl)morpholin-2-yl]-2-hydroxyacetamide?

The InChIKey is ASDCGPTXEZOWPG-QZTJIDSGSA-N. The full InChI is InChI=1S/C22H22N8O5/c1-22(2)11-29(16-6-8-30(27-16)13-5-7-24-25-10-13)21(33)18(34-22)17(31)20(32)26-12-3-4-14-15(9-12)35-28-19(14)23/h3-10,17-18,31H,11H2,1-2H3,(H2,23,28)(H,26,32)/t17-,18-/m1/s1.

What are the key properties of (2R)-N-(3-amino-1,2-benzoxazol-6-yl)-2-[(2R)-6,6-dimethyl-3-oxo-4-(1-pyridazin-4-ylpyrazol-3-yl)morpholin-2-yl]-2-hydroxyacetamide?

(2R)-N-(3-amino-1,2-benzoxazol-6-yl)-2-[(2R)-6,6-dimethyl-3-oxo-4-(1-pyridazin-4-ylpyrazol-3-yl)morpholin-2-yl]-2-hydroxyacetamide has a molecular weight of 478.47 g/mol, XLogP of 0.90, 5 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-(3-amino-1,2-benzoxazol-6-yl)-2-[(2R)-6,6-dimethyl-3-oxo-4-(1-pyridazin-4-ylpyrazol-3-yl)morpholin-2-yl]-2-hydroxyacetamide is sourced from PubChem (CID 90319407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).