N-(3-amino-1,2-benzoxazol-6-yl)-2-[4-(1-cyclopropyl-5-methylpyrazol-3-yl)-2-methyl-3-oxomorpholin-2-yl]-2-hydroxyacetamide

C21H24N6O5 — CID 118496367

About N-(3-amino-1,2-benzoxazol-6-yl)-2-[4-(1-cyclopropyl-5-methylpyrazol-3-yl)-2-methyl-3-oxomorpholin-2-yl]-2-hydroxyacetamide

N-(3-amino-1,2-benzoxazol-6-yl)-2-[4-(1-cyclopropyl-5-methylpyrazol-3-yl)-2-methyl-3-oxomorpholin-2-yl]-2-hydroxyacetamide (PubChem CID 118496367) has the molecular formula C21H24N6O5 and a molecular weight of 440.46 g/mol. Its IUPAC name is N-(3-amino-1,2-benzoxazol-6-yl)-2-[4-(1-cyclopropyl-5-methylpyrazol-3-yl)-2-methyl-3-oxomorpholin-2-yl]-2-hydroxyacetamide.

Molecular Properties

• Compound Name: N-(3-amino-1,2-benzoxazol-6-yl)-2-[4-(1-cyclopropyl-5-methylpyrazol-3-yl)-2-methyl-3-oxomorpholin-2-yl]-2-hydroxyacetamide
• PubChem CID: 118496367
• Molecular Formula: C21H24N6O5
• Molecular Weight: 440.46 g/mol
• Exact Mass: 440.18
• IUPAC Name: N-(3-amino-1,2-benzoxazol-6-yl)-2-[4-(1-cyclopropyl-5-methylpyrazol-3-yl)-2-methyl-3-oxomorpholin-2-yl]-2-hydroxyacetamide
• SMILES: Cc1cc(N2CCOC(C)(C(O)C(=O)Nc3ccc4c(N)noc4c3)C2=O)nn1C1CC1
• InChI: InChI=1S/C21H24N6O5/c1-11-9-16(24-27(11)13-4-5-13)26-7-8-31-21(2,20(26)30)17(28)19(29)23-12-3-6-14-15(10-12)32-25-18(14)22/h3,6,9-10,13,17,28H,4-5,7-8H2,1-2H3,(H2,22,25)(H,23,29)
• InChIKey: DUHPEZFVJGHZQH-UHFFFAOYSA-N
• XLogP: 1.37
• TPSA: 148.74 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	440.46
LogP ≤ 5	1.37
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-1,2-benzoxazol-6-yl)-2-[4-(1-cyclopropyl-5-methylpyrazol-3-yl)-2-methyl-3-oxomorpholin-2-yl]-2-hydroxyacetamide?

The IUPAC name of N-(3-amino-1,2-benzoxazol-6-yl)-2-[4-(1-cyclopropyl-5-methylpyrazol-3-yl)-2-methyl-3-oxomorpholin-2-yl]-2-hydroxyacetamide (CID 118496367) is N-(3-amino-1,2-benzoxazol-6-yl)-2-[4-(1-cyclopropyl-5-methylpyrazol-3-yl)-2-methyl-3-oxomorpholin-2-yl]-2-hydroxyacetamide.

What is the SMILES notation for N-(3-amino-1,2-benzoxazol-6-yl)-2-[4-(1-cyclopropyl-5-methylpyrazol-3-yl)-2-methyl-3-oxomorpholin-2-yl]-2-hydroxyacetamide?

The canonical SMILES for N-(3-amino-1,2-benzoxazol-6-yl)-2-[4-(1-cyclopropyl-5-methylpyrazol-3-yl)-2-methyl-3-oxomorpholin-2-yl]-2-hydroxyacetamide is Cc1cc(N2CCOC(C)(C(O)C(=O)Nc3ccc4c(N)noc4c3)C2=O)nn1C1CC1.

What is the InChIKey of N-(3-amino-1,2-benzoxazol-6-yl)-2-[4-(1-cyclopropyl-5-methylpyrazol-3-yl)-2-methyl-3-oxomorpholin-2-yl]-2-hydroxyacetamide?

The InChIKey is DUHPEZFVJGHZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O5/c1-11-9-16(24-27(11)13-4-5-13)26-7-8-31-21(2,20(26)30)17(28)19(29)23-12-3-6-14-15(10-12)32-25-18(14)22/h3,6,9-10,13,17,28H,4-5,7-8H2,1-2H3,(H2,22,25)(H,23,29).

What are the key properties of N-(3-amino-1,2-benzoxazol-6-yl)-2-[4-(1-cyclopropyl-5-methylpyrazol-3-yl)-2-methyl-3-oxomorpholin-2-yl]-2-hydroxyacetamide?

N-(3-amino-1,2-benzoxazol-6-yl)-2-[4-(1-cyclopropyl-5-methylpyrazol-3-yl)-2-methyl-3-oxomorpholin-2-yl]-2-hydroxyacetamide has a molecular weight of 440.46 g/mol, XLogP of 1.37, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-amino-1,2-benzoxazol-6-yl)-2-[4-(1-cyclopropyl-5-methylpyrazol-3-yl)-2-methyl-3-oxomorpholin-2-yl]-2-hydroxyacetamide is sourced from PubChem (CID 118496367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).