2-bromo-4-methoxy-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]benzamide

C22H22BrN3O5 — CID 167749710

About 2-bromo-4-methoxy-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]benzamide

2-bromo-4-methoxy-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]benzamide (PubChem CID 167749710) has the molecular formula C22H22BrN3O5 and a molecular weight of 488.34 g/mol. Its IUPAC name is 2-bromo-4-methoxy-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]benzamide.

Molecular Properties

• Compound Name: 2-bromo-4-methoxy-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]benzamide
• PubChem CID: 167749710
• Molecular Formula: C22H22BrN3O5
• Molecular Weight: 488.34 g/mol
• Exact Mass: 487.07
• IUPAC Name: 2-bromo-4-methoxy-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]benzamide
• SMILES: COc1ccc(C(=O)Nc2ccc3oc(=O)n(CC(=O)N4CCCCC4)c3c2)c(Br)c1
• InChI: InChI=1S/C22H22BrN3O5/c1-30-15-6-7-16(17(23)12-15)21(28)24-14-5-8-19-18(11-14)26(22(29)31-19)13-20(27)25-9-3-2-4-10-25/h5-8,11-12H,2-4,9-10,13H2,1H3,(H,24,28)
• InChIKey: IZJBTHLJNAOMFL-UHFFFAOYSA-N
• XLogP: 3.63
• TPSA: 93.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	488.34
LogP ≤ 5	3.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-methoxy-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]benzamide?

The IUPAC name of 2-bromo-4-methoxy-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]benzamide (CID 167749710) is 2-bromo-4-methoxy-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]benzamide.

What is the SMILES notation for 2-bromo-4-methoxy-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]benzamide?

The canonical SMILES for 2-bromo-4-methoxy-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]benzamide is COc1ccc(C(=O)Nc2ccc3oc(=O)n(CC(=O)N4CCCCC4)c3c2)c(Br)c1.

What is the InChIKey of 2-bromo-4-methoxy-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]benzamide?

The InChIKey is IZJBTHLJNAOMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22BrN3O5/c1-30-15-6-7-16(17(23)12-15)21(28)24-14-5-8-19-18(11-14)26(22(29)31-19)13-20(27)25-9-3-2-4-10-25/h5-8,11-12H,2-4,9-10,13H2,1H3,(H,24,28).

What are the key properties of 2-bromo-4-methoxy-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]benzamide?

2-bromo-4-methoxy-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]benzamide has a molecular weight of 488.34 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-4-methoxy-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]benzamide is sourced from PubChem (CID 167749710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).