2-(4-bromophenoxy)-N-[4-[(5,7-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide

C24H21BrN2O3 — CID 54858688

About 2-(4-bromophenoxy)-N-[4-[(5,7-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide

2-(4-bromophenoxy)-N-[4-[(5,7-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide (PubChem CID 54858688) has the molecular formula C24H21BrN2O3 and a molecular weight of 465.35 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-[4-[(5,7-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide.

Molecular Properties

• Compound Name: 2-(4-bromophenoxy)-N-[4-[(5,7-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide
• PubChem CID: 54858688
• Molecular Formula: C24H21BrN2O3
• Molecular Weight: 465.35 g/mol
• Exact Mass: 464.07
• IUPAC Name: 2-(4-bromophenoxy)-N-[4-[(5,7-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide
• SMILES: Cc1cc(C)c2oc(Cc3ccc(NC(=O)COc4ccc(Br)cc4)cc3)nc2c1
• InChI: InChI=1S/C24H21BrN2O3/c1-15-11-16(2)24-21(12-15)27-23(30-24)13-17-3-7-19(8-4-17)26-22(28)14-29-20-9-5-18(25)6-10-20/h3-12H,13-14H2,1-2H3,(H,26,28)
• InChIKey: MHIOGGUHKZRTRN-UHFFFAOYSA-N
• XLogP: 5.82
• TPSA: 64.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	465.35
LogP ≤ 5	5.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-[4-[(5,7-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide?

The IUPAC name of 2-(4-bromophenoxy)-N-[4-[(5,7-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide (CID 54858688) is 2-(4-bromophenoxy)-N-[4-[(5,7-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide.

What is the SMILES notation for 2-(4-bromophenoxy)-N-[4-[(5,7-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide?

The canonical SMILES for 2-(4-bromophenoxy)-N-[4-[(5,7-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide is Cc1cc(C)c2oc(Cc3ccc(NC(=O)COc4ccc(Br)cc4)cc3)nc2c1.

What is the InChIKey of 2-(4-bromophenoxy)-N-[4-[(5,7-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide?

The InChIKey is MHIOGGUHKZRTRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21BrN2O3/c1-15-11-16(2)24-21(12-15)27-23(30-24)13-17-3-7-19(8-4-17)26-22(28)14-29-20-9-5-18(25)6-10-20/h3-12H,13-14H2,1-2H3,(H,26,28).

What are the key properties of 2-(4-bromophenoxy)-N-[4-[(5,7-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide?

2-(4-bromophenoxy)-N-[4-[(5,7-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide has a molecular weight of 465.35 g/mol, XLogP of 5.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-bromophenoxy)-N-[4-[(5,7-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide is sourced from PubChem (CID 54858688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).