3,5-dibromo-N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-methoxybenzamide

C23H18Br2N2O3 — CID 17318724

About 3,5-dibromo-N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-methoxybenzamide

3,5-dibromo-N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-methoxybenzamide (PubChem CID 17318724) has the molecular formula C23H18Br2N2O3 and a molecular weight of 530.22 g/mol. Its IUPAC name is 3,5-dibromo-N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-methoxybenzamide.

Molecular Properties

• Compound Name: 3,5-dibromo-N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-methoxybenzamide
• PubChem CID: 17318724
• Molecular Formula: C23H18Br2N2O3
• Molecular Weight: 530.22 g/mol
• Exact Mass: 527.97
• IUPAC Name: 3,5-dibromo-N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-methoxybenzamide
• SMILES: COc1c(Br)cc(Br)cc1C(=O)Nc1cccc(-c2nc3cc(C)cc(C)c3o2)c1
• InChI: InChI=1S/C23H18Br2N2O3/c1-12-7-13(2)20-19(8-12)27-23(30-20)14-5-4-6-16(9-14)26-22(28)17-10-15(24)11-18(25)21(17)29-3/h4-11H,1-3H3,(H,26,28)
• InChIKey: OOBJDCLIKOQJRU-UHFFFAOYSA-N
• XLogP: 6.90
• TPSA: 64.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	530.22
LogP ≤ 5	6.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-methoxybenzamide?

The IUPAC name of 3,5-dibromo-N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-methoxybenzamide (CID 17318724) is 3,5-dibromo-N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-methoxybenzamide.

What is the SMILES notation for 3,5-dibromo-N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-methoxybenzamide?

The canonical SMILES for 3,5-dibromo-N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-methoxybenzamide is COc1c(Br)cc(Br)cc1C(=O)Nc1cccc(-c2nc3cc(C)cc(C)c3o2)c1.

What is the InChIKey of 3,5-dibromo-N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-methoxybenzamide?

The InChIKey is OOBJDCLIKOQJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Br2N2O3/c1-12-7-13(2)20-19(8-12)27-23(30-20)14-5-4-6-16(9-14)26-22(28)17-10-15(24)11-18(25)21(17)29-3/h4-11H,1-3H3,(H,26,28).

What are the key properties of 3,5-dibromo-N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-methoxybenzamide?

3,5-dibromo-N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-methoxybenzamide has a molecular weight of 530.22 g/mol, XLogP of 6.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-dibromo-N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-methoxybenzamide is sourced from PubChem (CID 17318724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).