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

C25H25N3O5 — CID 50793967

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

N-[4-methyl-3-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-2-phenoxybutanamide (PubChem CID 50793967) has the molecular formula C25H25N3O5 and a molecular weight of 447.49 g/mol. Its IUPAC name is N-[4-methyl-3-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-2-phenoxybutanamide.

Molecular Properties

• Compound Name: N-[4-methyl-3-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-2-phenoxybutanamide
• PubChem CID: 50793967
• Molecular Formula: C25H25N3O5
• Molecular Weight: 447.49 g/mol
• Exact Mass: 447.18
• IUPAC Name: N-[4-methyl-3-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-2-phenoxybutanamide
• SMILES: CCC(Oc1ccccc1)C(=O)Nc1ccc(C)c(OCc2cc(=O)n3oc(C)cc3n2)c1
• InChI: InChI=1S/C25H25N3O5/c1-4-21(32-20-8-6-5-7-9-20)25(30)27-18-11-10-16(2)22(13-18)31-15-19-14-24(29)28-23(26-19)12-17(3)33-28/h5-14,21H,4,15H2,1-3H3,(H,27,30)
• InChIKey: GTJFXCDLUGWQCL-UHFFFAOYSA-N
• XLogP: 4.28
• TPSA: 95.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.49
LogP ≤ 5	4.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[4-methyl-3-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-2-phenoxybutanamide (CID 50793967) is N-[4-methyl-3-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-2-phenoxybutanamide.

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

The canonical SMILES for N-[4-methyl-3-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-2-phenoxybutanamide is CCC(Oc1ccccc1)C(=O)Nc1ccc(C)c(OCc2cc(=O)n3oc(C)cc3n2)c1.

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

The InChIKey is GTJFXCDLUGWQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O5/c1-4-21(32-20-8-6-5-7-9-20)25(30)27-18-11-10-16(2)22(13-18)31-15-19-14-24(29)28-23(26-19)12-17(3)33-28/h5-14,21H,4,15H2,1-3H3,(H,27,30).

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

N-[4-methyl-3-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-2-phenoxybutanamide has a molecular weight of 447.49 g/mol, XLogP of 4.28, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-methyl-3-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-2-phenoxybutanamide is sourced from PubChem (CID 50793967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).