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

C19H21N3O4 — CID 50744309

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

2,2-dimethyl-N-[2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]propanamide (PubChem CID 50744309) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]propanamide.

Molecular Properties

• Compound Name: 2,2-dimethyl-N-[2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]propanamide
• PubChem CID: 50744309
• Molecular Formula: C19H21N3O4
• Molecular Weight: 355.39 g/mol
• Exact Mass: 355.15
• IUPAC Name: 2,2-dimethyl-N-[2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]propanamide
• SMILES: Cc1cc2nc(COc3ccccc3NC(=O)C(C)(C)C)cc(=O)n2o1
• InChI: InChI=1S/C19H21N3O4/c1-12-9-16-20-13(10-17(23)22(16)26-12)11-25-15-8-6-5-7-14(15)21-18(24)19(2,3)4/h5-10H,11H2,1-4H3,(H,21,24)
• InChIKey: NJQNFIPINZWHHE-UHFFFAOYSA-N
• XLogP: 3.16
• TPSA: 85.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• 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 2,2-dimethyl-N-[2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]propanamide?

The IUPAC name of 2,2-dimethyl-N-[2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]propanamide (CID 50744309) is 2,2-dimethyl-N-[2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]propanamide.

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

The canonical SMILES for 2,2-dimethyl-N-[2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]propanamide is Cc1cc2nc(COc3ccccc3NC(=O)C(C)(C)C)cc(=O)n2o1.

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

The InChIKey is NJQNFIPINZWHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-12-9-16-20-13(10-17(23)22(16)26-12)11-25-15-8-6-5-7-14(15)21-18(24)19(2,3)4/h5-10H,11H2,1-4H3,(H,21,24).

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

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

Where does this data come from?

All data for 2,2-dimethyl-N-[2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]propanamide is sourced from PubChem (CID 50744309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).