3-methyl-N-[4-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]butanamide

C19H21N3O4 — CID 50744336

About 3-methyl-N-[4-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]butanamide

3-methyl-N-[4-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]butanamide (PubChem CID 50744336) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is 3-methyl-N-[4-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]butanamide.

Molecular Properties

• Compound Name: 3-methyl-N-[4-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]butanamide
• PubChem CID: 50744336
• Molecular Formula: C19H21N3O4
• Molecular Weight: 355.39 g/mol
• Exact Mass: 355.15
• IUPAC Name: 3-methyl-N-[4-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]butanamide
• SMILES: Cc1cc2nc(COc3ccc(NC(=O)CC(C)C)cc3)cc(=O)n2o1
• InChI: InChI=1S/C19H21N3O4/c1-12(2)8-18(23)21-14-4-6-16(7-5-14)25-11-15-10-19(24)22-17(20-15)9-13(3)26-22/h4-7,9-10,12H,8,11H2,1-3H3,(H,21,23)
• InChIKey: UPDGQNWZTPAATE-UHFFFAOYSA-N
• XLogP: 3.16
• TPSA: 85.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	355.39
LogP ≤ 5	3.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]butanamide?

The IUPAC name of 3-methyl-N-[4-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]butanamide (CID 50744336) is 3-methyl-N-[4-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]butanamide.

What is the SMILES notation for 3-methyl-N-[4-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]butanamide?

The canonical SMILES for 3-methyl-N-[4-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]butanamide is Cc1cc2nc(COc3ccc(NC(=O)CC(C)C)cc3)cc(=O)n2o1.

What is the InChIKey of 3-methyl-N-[4-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]butanamide?

The InChIKey is UPDGQNWZTPAATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-12(2)8-18(23)21-14-4-6-16(7-5-14)25-11-15-10-19(24)22-17(20-15)9-13(3)26-22/h4-7,9-10,12H,8,11H2,1-3H3,(H,21,23).

What are the key properties of 3-methyl-N-[4-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]butanamide?

3-methyl-N-[4-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]butanamide has a molecular weight of 355.39 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-N-[4-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]butanamide is sourced from PubChem (CID 50744336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).