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

C23H20ClN3O5 — CID 50805922

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

N-[5-chloro-2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-4-ethoxybenzamide (PubChem CID 50805922) has the molecular formula C23H20ClN3O5 and a molecular weight of 453.88 g/mol. Its IUPAC name is N-[5-chloro-2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-4-ethoxybenzamide.

Molecular Properties

• Compound Name: N-[5-chloro-2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-4-ethoxybenzamide
• PubChem CID: 50805922
• Molecular Formula: C23H20ClN3O5
• Molecular Weight: 453.88 g/mol
• Exact Mass: 453.11
• IUPAC Name: N-[5-chloro-2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-4-ethoxybenzamide
• SMILES: CCOc1ccc(C(=O)Nc2cc(Cl)ccc2OCc2cc(=O)n3oc(C)cc3n2)cc1
• InChI: InChI=1S/C23H20ClN3O5/c1-3-30-18-7-4-15(5-8-18)23(29)26-19-11-16(24)6-9-20(19)31-13-17-12-22(28)27-21(25-17)10-14(2)32-27/h4-12H,3,13H2,1-2H3,(H,26,29)
• InChIKey: PEKYTRBGERPBMO-UHFFFAOYSA-N
• XLogP: 4.48
• 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	453.88
LogP ≤ 5	4.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[5-chloro-2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-4-ethoxybenzamide (CID 50805922) is N-[5-chloro-2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-4-ethoxybenzamide.

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

The canonical SMILES for N-[5-chloro-2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-4-ethoxybenzamide is CCOc1ccc(C(=O)Nc2cc(Cl)ccc2OCc2cc(=O)n3oc(C)cc3n2)cc1.

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

The InChIKey is PEKYTRBGERPBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O5/c1-3-30-18-7-4-15(5-8-18)23(29)26-19-11-16(24)6-9-20(19)31-13-17-12-22(28)27-21(25-17)10-14(2)32-27/h4-12H,3,13H2,1-2H3,(H,26,29).

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

N-[5-chloro-2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-4-ethoxybenzamide has a molecular weight of 453.88 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-chloro-2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-4-ethoxybenzamide is sourced from PubChem (CID 50805922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).