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

C21H15Cl2N3O4 — CID 50764140

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

4-chloro-N-[4-chloro-2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]benzamide (PubChem CID 50764140) has the molecular formula C21H15Cl2N3O4 and a molecular weight of 444.27 g/mol. Its IUPAC name is 4-chloro-N-[4-chloro-2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]benzamide.

Molecular Properties

• Compound Name: 4-chloro-N-[4-chloro-2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]benzamide
• PubChem CID: 50764140
• Molecular Formula: C21H15Cl2N3O4
• Molecular Weight: 444.27 g/mol
• Exact Mass: 443.04
• IUPAC Name: 4-chloro-N-[4-chloro-2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]benzamide
• SMILES: Cc1cc2nc(COc3cc(Cl)ccc3NC(=O)c3ccc(Cl)cc3)cc(=O)n2o1
• InChI: InChI=1S/C21H15Cl2N3O4/c1-12-8-19-24-16(10-20(27)26(19)30-12)11-29-18-9-15(23)6-7-17(18)25-21(28)13-2-4-14(22)5-3-13/h2-10H,11H2,1H3,(H,25,28)
• InChIKey: RYOHOHYLDZDXSQ-UHFFFAOYSA-N
• XLogP: 4.73
• TPSA: 85.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.27
LogP ≤ 5	4.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 4-chloro-N-[4-chloro-2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]benzamide (CID 50764140) is 4-chloro-N-[4-chloro-2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]benzamide.

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

The canonical SMILES for 4-chloro-N-[4-chloro-2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]benzamide is Cc1cc2nc(COc3cc(Cl)ccc3NC(=O)c3ccc(Cl)cc3)cc(=O)n2o1.

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

The InChIKey is RYOHOHYLDZDXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15Cl2N3O4/c1-12-8-19-24-16(10-20(27)26(19)30-12)11-29-18-9-15(23)6-7-17(18)25-21(28)13-2-4-14(22)5-3-13/h2-10H,11H2,1H3,(H,25,28).

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

4-chloro-N-[4-chloro-2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]benzamide has a molecular weight of 444.27 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-N-[4-chloro-2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]benzamide is sourced from PubChem (CID 50764140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).