5-[(3S,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-1-carbonyl]-1-methylpyridin-2-one

C16H19N3O4 — CID 135093330

About 5-[(3S,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-1-carbonyl]-1-methylpyridin-2-one

5-[(3S,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-1-carbonyl]-1-methylpyridin-2-one (PubChem CID 135093330) has the molecular formula C16H19N3O4 and a molecular weight of 317.35 g/mol. Its IUPAC name is 5-[(3S,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-1-carbonyl]-1-methylpyridin-2-one.

Molecular Properties

• Compound Name: 5-[(3S,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-1-carbonyl]-1-methylpyridin-2-one
• PubChem CID: 135093330
• Molecular Formula: C16H19N3O4
• Molecular Weight: 317.35 g/mol
• Exact Mass: 317.14
• IUPAC Name: 5-[(3S,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-1-carbonyl]-1-methylpyridin-2-one
• SMILES: Cc1cc(C[C@@H]2CN(C(=O)c3ccc(=O)n(C)c3)C[C@H]2O)on1
• InChI: InChI=1S/C16H19N3O4/c1-10-5-13(23-17-10)6-12-8-19(9-14(12)20)16(22)11-3-4-15(21)18(2)7-11/h3-5,7,12,14,20H,6,8-9H2,1-2H3/t12-,14-/m1/s1
• InChIKey: ARYFGYLLJJVTFL-TZMCWYRMSA-N
• XLogP: 0.36
• TPSA: 88.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	317.35
LogP ≤ 5	0.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[(3S,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-1-carbonyl]-1-methylpyridin-2-one?

The IUPAC name of 5-[(3S,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-1-carbonyl]-1-methylpyridin-2-one (CID 135093330) is 5-[(3S,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-1-carbonyl]-1-methylpyridin-2-one.

What is the SMILES notation for 5-[(3S,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-1-carbonyl]-1-methylpyridin-2-one?

The canonical SMILES for 5-[(3S,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-1-carbonyl]-1-methylpyridin-2-one is Cc1cc(C[C@@H]2CN(C(=O)c3ccc(=O)n(C)c3)C[C@H]2O)on1.

What is the InChIKey of 5-[(3S,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-1-carbonyl]-1-methylpyridin-2-one?

The InChIKey is ARYFGYLLJJVTFL-TZMCWYRMSA-N. The full InChI is InChI=1S/C16H19N3O4/c1-10-5-13(23-17-10)6-12-8-19(9-14(12)20)16(22)11-3-4-15(21)18(2)7-11/h3-5,7,12,14,20H,6,8-9H2,1-2H3/t12-,14-/m1/s1.

What are the key properties of 5-[(3S,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-1-carbonyl]-1-methylpyridin-2-one?

5-[(3S,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-1-carbonyl]-1-methylpyridin-2-one has a molecular weight of 317.35 g/mol, XLogP of 0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(3S,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-1-carbonyl]-1-methylpyridin-2-one is sourced from PubChem (CID 135093330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).