N-[4-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]-2-methyl-2-phenoxypropanamide

C23H18Cl2N2O3 — CID 30308576

About N-[4-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]-2-methyl-2-phenoxypropanamide

N-[4-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]-2-methyl-2-phenoxypropanamide (PubChem CID 30308576) has the molecular formula C23H18Cl2N2O3 and a molecular weight of 441.31 g/mol. Its IUPAC name is N-[4-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]-2-methyl-2-phenoxypropanamide.

Molecular Properties

• Compound Name: N-[4-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]-2-methyl-2-phenoxypropanamide
• PubChem CID: 30308576
• Molecular Formula: C23H18Cl2N2O3
• Molecular Weight: 441.31 g/mol
• Exact Mass: 440.07
• IUPAC Name: N-[4-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]-2-methyl-2-phenoxypropanamide
• SMILES: CC(C)(Oc1ccccc1)C(=O)Nc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1
• InChI: InChI=1S/C23H18Cl2N2O3/c1-23(2,30-17-6-4-3-5-7-17)22(28)26-16-10-8-14(9-11-16)21-27-19-13-15(24)12-18(25)20(19)29-21/h3-13H,1-2H3,(H,26,28)
• InChIKey: QZHBUXBOWITXGJ-UHFFFAOYSA-N
• XLogP: 6.60
• TPSA: 64.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	441.31
LogP ≤ 5	6.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-[4-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]-2-methyl-2-phenoxypropanamide (CID 30308576) is N-[4-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]-2-methyl-2-phenoxypropanamide.

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

The canonical SMILES for N-[4-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]-2-methyl-2-phenoxypropanamide is CC(C)(Oc1ccccc1)C(=O)Nc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1.

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

The InChIKey is QZHBUXBOWITXGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl2N2O3/c1-23(2,30-17-6-4-3-5-7-17)22(28)26-16-10-8-14(9-11-16)21-27-19-13-15(24)12-18(25)20(19)29-21/h3-13H,1-2H3,(H,26,28).

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

N-[4-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]-2-methyl-2-phenoxypropanamide has a molecular weight of 441.31 g/mol, XLogP of 6.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]-2-methyl-2-phenoxypropanamide is sourced from PubChem (CID 30308576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).