N-[(2R)-2-hydroxy-3-methoxypropyl]-2-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,3-oxazole-4-carboxamide

C17H19N3O5S — CID 97128643

About N-[(2R)-2-hydroxy-3-methoxypropyl]-2-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,3-oxazole-4-carboxamide

N-[(2R)-2-hydroxy-3-methoxypropyl]-2-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,3-oxazole-4-carboxamide (PubChem CID 97128643) has the molecular formula C17H19N3O5S and a molecular weight of 377.42 g/mol. Its IUPAC name is N-[(2R)-2-hydroxy-3-methoxypropyl]-2-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[(2R)-2-hydroxy-3-methoxypropyl]-2-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,3-oxazole-4-carboxamide
• PubChem CID: 97128643
• Molecular Formula: C17H19N3O5S
• Molecular Weight: 377.42 g/mol
• Exact Mass: 377.10
• IUPAC Name: N-[(2R)-2-hydroxy-3-methoxypropyl]-2-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,3-oxazole-4-carboxamide
• SMILES: COC[C@H](O)CNC(=O)c1coc(COc2ccc3sc(C)nc3c2)n1
• InChI: InChI=1S/C17H19N3O5S/c1-10-19-13-5-12(3-4-15(13)26-10)24-9-16-20-14(8-25-16)17(22)18-6-11(21)7-23-2/h3-5,8,11,21H,6-7,9H2,1-2H3,(H,18,22)/t11-/m1/s1
• InChIKey: BQLWHVUBZVQKMY-LLVKDONJSA-N
• XLogP: 1.91
• TPSA: 106.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	377.42
LogP ≤ 5	1.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxy-3-methoxypropyl]-2-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,3-oxazole-4-carboxamide?

The IUPAC name of N-[(2R)-2-hydroxy-3-methoxypropyl]-2-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,3-oxazole-4-carboxamide (CID 97128643) is N-[(2R)-2-hydroxy-3-methoxypropyl]-2-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,3-oxazole-4-carboxamide.

What is the SMILES notation for N-[(2R)-2-hydroxy-3-methoxypropyl]-2-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,3-oxazole-4-carboxamide?

The canonical SMILES for N-[(2R)-2-hydroxy-3-methoxypropyl]-2-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,3-oxazole-4-carboxamide is COC[C@H](O)CNC(=O)c1coc(COc2ccc3sc(C)nc3c2)n1.

What is the InChIKey of N-[(2R)-2-hydroxy-3-methoxypropyl]-2-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,3-oxazole-4-carboxamide?

The InChIKey is BQLWHVUBZVQKMY-LLVKDONJSA-N. The full InChI is InChI=1S/C17H19N3O5S/c1-10-19-13-5-12(3-4-15(13)26-10)24-9-16-20-14(8-25-16)17(22)18-6-11(21)7-23-2/h3-5,8,11,21H,6-7,9H2,1-2H3,(H,18,22)/t11-/m1/s1.

What are the key properties of N-[(2R)-2-hydroxy-3-methoxypropyl]-2-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,3-oxazole-4-carboxamide?

N-[(2R)-2-hydroxy-3-methoxypropyl]-2-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,3-oxazole-4-carboxamide has a molecular weight of 377.42 g/mol, XLogP of 1.91, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-2-hydroxy-3-methoxypropyl]-2-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 97128643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).