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

C24H23N3O5 — CID 50764162

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

N-[4-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-2-(3-methylphenoxy)propanamide (PubChem CID 50764162) has the molecular formula C24H23N3O5 and a molecular weight of 433.46 g/mol. Its IUPAC name is N-[4-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-2-(3-methylphenoxy)propanamide.

Molecular Properties

• Compound Name: N-[4-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-2-(3-methylphenoxy)propanamide
• PubChem CID: 50764162
• Molecular Formula: C24H23N3O5
• Molecular Weight: 433.46 g/mol
• Exact Mass: 433.16
• IUPAC Name: N-[4-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-2-(3-methylphenoxy)propanamide
• SMILES: Cc1cccc(OC(C)C(=O)Nc2ccc(OCc3cc(=O)n4oc(C)cc4n3)cc2)c1
• InChI: InChI=1S/C24H23N3O5/c1-15-5-4-6-21(11-15)31-17(3)24(29)26-18-7-9-20(10-8-18)30-14-19-13-23(28)27-22(25-19)12-16(2)32-27/h4-13,17H,14H2,1-3H3,(H,26,29)
• InChIKey: JMPKMPMSTHORHJ-UHFFFAOYSA-N
• XLogP: 3.89
• TPSA: 95.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.46
LogP ≤ 5	3.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[4-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-2-(3-methylphenoxy)propanamide (CID 50764162) is N-[4-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-2-(3-methylphenoxy)propanamide.

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

The canonical SMILES for N-[4-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-2-(3-methylphenoxy)propanamide is Cc1cccc(OC(C)C(=O)Nc2ccc(OCc3cc(=O)n4oc(C)cc4n3)cc2)c1.

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

The InChIKey is JMPKMPMSTHORHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O5/c1-15-5-4-6-21(11-15)31-17(3)24(29)26-18-7-9-20(10-8-18)30-14-19-13-23(28)27-22(25-19)12-16(2)32-27/h4-13,17H,14H2,1-3H3,(H,26,29).

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

N-[4-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-2-(3-methylphenoxy)propanamide has a molecular weight of 433.46 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-2-(3-methylphenoxy)propanamide is sourced from PubChem (CID 50764162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).