(2R)-N-(3-amino-1,2-benzoxazol-6-yl)-2-[(2R)-4-[1-(5-cyano-3-pyridinyl)pyrazol-3-yl]-2-methyl-3-oxomorpholin-2-yl]-2-hydroxyacetamide

C23H20N8O5 — CID 90319891

About (2R)-N-(3-amino-1,2-benzoxazol-6-yl)-2-[(2R)-4-[1-(5-cyano-3-pyridinyl)pyrazol-3-yl]-2-methyl-3-oxomorpholin-2-yl]-2-hydroxyacetamide

(2R)-N-(3-amino-1,2-benzoxazol-6-yl)-2-[(2R)-4-[1-(5-cyano-3-pyridinyl)pyrazol-3-yl]-2-methyl-3-oxomorpholin-2-yl]-2-hydroxyacetamide (PubChem CID 90319891) has the molecular formula C23H20N8O5 and a molecular weight of 488.46 g/mol. Its IUPAC name is (2R)-N-(3-amino-1,2-benzoxazol-6-yl)-2-[(2R)-4-[1-(5-cyano-3-pyridinyl)pyrazol-3-yl]-2-methyl-3-oxomorpholin-2-yl]-2-hydroxyacetamide.

Molecular Properties

• Compound Name: (2R)-N-(3-amino-1,2-benzoxazol-6-yl)-2-[(2R)-4-[1-(5-cyano-3-pyridinyl)pyrazol-3-yl]-2-methyl-3-oxomorpholin-2-yl]-2-hydroxyacetamide
• PubChem CID: 90319891
• Molecular Formula: C23H20N8O5
• Molecular Weight: 488.46 g/mol
• Exact Mass: 488.16
• IUPAC Name: (2R)-N-(3-amino-1,2-benzoxazol-6-yl)-2-[(2R)-4-[1-(5-cyano-3-pyridinyl)pyrazol-3-yl]-2-methyl-3-oxomorpholin-2-yl]-2-hydroxyacetamide
• SMILES: C[C@]1([C@@H](O)C(=O)Nc2ccc3c(N)noc3c2)OCCN(c2ccn(-c3cncc(C#N)c3)n2)C1=O
• InChI: InChI=1S/C23H20N8O5/c1-23(19(32)21(33)27-14-2-3-16-17(9-14)36-29-20(16)25)22(34)30(6-7-35-23)18-4-5-31(28-18)15-8-13(10-24)11-26-12-15/h2-5,8-9,11-12,19,32H,6-7H2,1H3,(H2,25,29)(H,27,33)/t19-,23+/m0/s1
• InChIKey: NFTLCXZLNOLPOE-WMZHIEFXSA-N
• XLogP: 0.98
• TPSA: 185.42 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	488.46
LogP ≤ 5	0.98
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)-4-[1-(5-cyano-3-pyridinyl)pyrazol-3-yl]-2-methyl-3-oxomorpholin-2-yl]-2-hydroxyacetamide?

The IUPAC name of (2R)-N-(3-amino-1,2-benzoxazol-6-yl)-2-[(2R)-4-[1-(5-cyano-3-pyridinyl)pyrazol-3-yl]-2-methyl-3-oxomorpholin-2-yl]-2-hydroxyacetamide (CID 90319891) is (2R)-N-(3-amino-1,2-benzoxazol-6-yl)-2-[(2R)-4-[1-(5-cyano-3-pyridinyl)pyrazol-3-yl]-2-methyl-3-oxomorpholin-2-yl]-2-hydroxyacetamide.

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

The canonical SMILES for (2R)-N-(3-amino-1,2-benzoxazol-6-yl)-2-[(2R)-4-[1-(5-cyano-3-pyridinyl)pyrazol-3-yl]-2-methyl-3-oxomorpholin-2-yl]-2-hydroxyacetamide is C[C@]1([C@@H](O)C(=O)Nc2ccc3c(N)noc3c2)OCCN(c2ccn(-c3cncc(C#N)c3)n2)C1=O.

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

The InChIKey is NFTLCXZLNOLPOE-WMZHIEFXSA-N. The full InChI is InChI=1S/C23H20N8O5/c1-23(19(32)21(33)27-14-2-3-16-17(9-14)36-29-20(16)25)22(34)30(6-7-35-23)18-4-5-31(28-18)15-8-13(10-24)11-26-12-15/h2-5,8-9,11-12,19,32H,6-7H2,1H3,(H2,25,29)(H,27,33)/t19-,23+/m0/s1.

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

(2R)-N-(3-amino-1,2-benzoxazol-6-yl)-2-[(2R)-4-[1-(5-cyano-3-pyridinyl)pyrazol-3-yl]-2-methyl-3-oxomorpholin-2-yl]-2-hydroxyacetamide has a molecular weight of 488.46 g/mol, XLogP of 0.98, 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)-4-[1-(5-cyano-3-pyridinyl)pyrazol-3-yl]-2-methyl-3-oxomorpholin-2-yl]-2-hydroxyacetamide is sourced from PubChem (CID 90319891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).