3-methyl-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-2-oxo-1,3-benzoxazole-5-sulfonamide

C18H21N5O5S — CID 122353860

About 3-methyl-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-2-oxo-1,3-benzoxazole-5-sulfonamide

3-methyl-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-2-oxo-1,3-benzoxazole-5-sulfonamide (PubChem CID 122353860) has the molecular formula C18H21N5O5S and a molecular weight of 419.46 g/mol. Its IUPAC name is 3-methyl-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-2-oxo-1,3-benzoxazole-5-sulfonamide.

Molecular Properties

• Compound Name: 3-methyl-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-2-oxo-1,3-benzoxazole-5-sulfonamide
• PubChem CID: 122353860
• Molecular Formula: C18H21N5O5S
• Molecular Weight: 419.46 g/mol
• Exact Mass: 419.13
• IUPAC Name: 3-methyl-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-2-oxo-1,3-benzoxazole-5-sulfonamide
• SMILES: Cc1cc(CNS(=O)(=O)c2ccc3oc(=O)n(C)c3c2)nc(N2CCOCC2)n1
• InChI: InChI=1S/C18H21N5O5S/c1-12-9-13(21-17(20-12)23-5-7-27-8-6-23)11-19-29(25,26)14-3-4-16-15(10-14)22(2)18(24)28-16/h3-4,9-10,19H,5-8,11H2,1-2H3
• InChIKey: GTZFHPJDBUOZBV-UHFFFAOYSA-N
• XLogP: 0.55
• TPSA: 119.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	419.46
LogP ≤ 5	0.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-2-oxo-1,3-benzoxazole-5-sulfonamide?

The IUPAC name of 3-methyl-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-2-oxo-1,3-benzoxazole-5-sulfonamide (CID 122353860) is 3-methyl-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-2-oxo-1,3-benzoxazole-5-sulfonamide.

What is the SMILES notation for 3-methyl-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-2-oxo-1,3-benzoxazole-5-sulfonamide?

The canonical SMILES for 3-methyl-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-2-oxo-1,3-benzoxazole-5-sulfonamide is Cc1cc(CNS(=O)(=O)c2ccc3oc(=O)n(C)c3c2)nc(N2CCOCC2)n1.

What is the InChIKey of 3-methyl-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-2-oxo-1,3-benzoxazole-5-sulfonamide?

The InChIKey is GTZFHPJDBUOZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O5S/c1-12-9-13(21-17(20-12)23-5-7-27-8-6-23)11-19-29(25,26)14-3-4-16-15(10-14)22(2)18(24)28-16/h3-4,9-10,19H,5-8,11H2,1-2H3.

What are the key properties of 3-methyl-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-2-oxo-1,3-benzoxazole-5-sulfonamide?

3-methyl-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-2-oxo-1,3-benzoxazole-5-sulfonamide has a molecular weight of 419.46 g/mol, XLogP of 0.55, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-2-oxo-1,3-benzoxazole-5-sulfonamide is sourced from PubChem (CID 122353860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).