N-(3-amino-1,2-benzoxazol-6-yl)-2-hydroxy-2-[(2R)-2-methyl-3-oxo-4-(6-pyridazin-4-yl-2-pyridinyl)morpholin-2-yl]acetamide

C23H21N7O5 — CID 140697766

About N-(3-amino-1,2-benzoxazol-6-yl)-2-hydroxy-2-[(2R)-2-methyl-3-oxo-4-(6-pyridazin-4-yl-2-pyridinyl)morpholin-2-yl]acetamide

N-(3-amino-1,2-benzoxazol-6-yl)-2-hydroxy-2-[(2R)-2-methyl-3-oxo-4-(6-pyridazin-4-yl-2-pyridinyl)morpholin-2-yl]acetamide (PubChem CID 140697766) has the molecular formula C23H21N7O5 and a molecular weight of 475.47 g/mol. Its IUPAC name is N-(3-amino-1,2-benzoxazol-6-yl)-2-hydroxy-2-[(2R)-2-methyl-3-oxo-4-(6-pyridazin-4-yl-2-pyridinyl)morpholin-2-yl]acetamide.

Molecular Properties

• Compound Name: N-(3-amino-1,2-benzoxazol-6-yl)-2-hydroxy-2-[(2R)-2-methyl-3-oxo-4-(6-pyridazin-4-yl-2-pyridinyl)morpholin-2-yl]acetamide
• PubChem CID: 140697766
• Molecular Formula: C23H21N7O5
• Molecular Weight: 475.47 g/mol
• Exact Mass: 475.16
• IUPAC Name: N-(3-amino-1,2-benzoxazol-6-yl)-2-hydroxy-2-[(2R)-2-methyl-3-oxo-4-(6-pyridazin-4-yl-2-pyridinyl)morpholin-2-yl]acetamide
• SMILES: C[C@]1(C(O)C(=O)Nc2ccc3c(N)noc3c2)OCCN(c2cccc(-c3ccnnc3)n2)C1=O
• InChI: InChI=1S/C23H21N7O5/c1-23(19(31)21(32)27-14-5-6-15-17(11-14)35-29-20(15)24)22(33)30(9-10-34-23)18-4-2-3-16(28-18)13-7-8-25-26-12-13/h2-8,11-12,19,31H,9-10H2,1H3,(H2,24,29)(H,27,32)/t19?,23-/m1/s1
• InChIKey: SDXNOIPDFPGSHC-LEQGEALCSA-N
• XLogP: 1.38
• TPSA: 169.59 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.47
LogP ≤ 5	1.38
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-1,2-benzoxazol-6-yl)-2-hydroxy-2-[(2R)-2-methyl-3-oxo-4-(6-pyridazin-4-yl-2-pyridinyl)morpholin-2-yl]acetamide?

The IUPAC name of N-(3-amino-1,2-benzoxazol-6-yl)-2-hydroxy-2-[(2R)-2-methyl-3-oxo-4-(6-pyridazin-4-yl-2-pyridinyl)morpholin-2-yl]acetamide (CID 140697766) is N-(3-amino-1,2-benzoxazol-6-yl)-2-hydroxy-2-[(2R)-2-methyl-3-oxo-4-(6-pyridazin-4-yl-2-pyridinyl)morpholin-2-yl]acetamide.

What is the SMILES notation for N-(3-amino-1,2-benzoxazol-6-yl)-2-hydroxy-2-[(2R)-2-methyl-3-oxo-4-(6-pyridazin-4-yl-2-pyridinyl)morpholin-2-yl]acetamide?

The canonical SMILES for N-(3-amino-1,2-benzoxazol-6-yl)-2-hydroxy-2-[(2R)-2-methyl-3-oxo-4-(6-pyridazin-4-yl-2-pyridinyl)morpholin-2-yl]acetamide is C[C@]1(C(O)C(=O)Nc2ccc3c(N)noc3c2)OCCN(c2cccc(-c3ccnnc3)n2)C1=O.

What is the InChIKey of N-(3-amino-1,2-benzoxazol-6-yl)-2-hydroxy-2-[(2R)-2-methyl-3-oxo-4-(6-pyridazin-4-yl-2-pyridinyl)morpholin-2-yl]acetamide?

The InChIKey is SDXNOIPDFPGSHC-LEQGEALCSA-N. The full InChI is InChI=1S/C23H21N7O5/c1-23(19(31)21(32)27-14-5-6-15-17(11-14)35-29-20(15)24)22(33)30(9-10-34-23)18-4-2-3-16(28-18)13-7-8-25-26-12-13/h2-8,11-12,19,31H,9-10H2,1H3,(H2,24,29)(H,27,32)/t19?,23-/m1/s1.

What are the key properties of N-(3-amino-1,2-benzoxazol-6-yl)-2-hydroxy-2-[(2R)-2-methyl-3-oxo-4-(6-pyridazin-4-yl-2-pyridinyl)morpholin-2-yl]acetamide?

N-(3-amino-1,2-benzoxazol-6-yl)-2-hydroxy-2-[(2R)-2-methyl-3-oxo-4-(6-pyridazin-4-yl-2-pyridinyl)morpholin-2-yl]acetamide has a molecular weight of 475.47 g/mol, XLogP of 1.38, 5 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-amino-1,2-benzoxazol-6-yl)-2-hydroxy-2-[(2R)-2-methyl-3-oxo-4-(6-pyridazin-4-yl-2-pyridinyl)morpholin-2-yl]acetamide is sourced from PubChem (CID 140697766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).