4-[(2,6-dichlorophenyl)methoxy]-N-methyl-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(2,6-dichlorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(2,6-difluorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(2,6-dimethylphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine

C79H60Cl4F2N12O8 — CID 165104759

About 4-[(2,6-dichlorophenyl)methoxy]-N-methyl-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(2,6-dichlorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(2,6-difluorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(2,6-dimethylphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine

4-[(2,6-dichlorophenyl)methoxy]-N-methyl-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(2,6-dichlorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(2,6-difluorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(2,6-dimethylphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine (PubChem CID 165104759) has the molecular formula C79H60Cl4F2N12O8 and a molecular weight of 1485.23 g/mol. Its IUPAC name is 4-[(2,6-dichlorophenyl)methoxy]-N-methyl-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(2,6-dichlorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(2,6-difluorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(2,6-dimethylphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine.

Molecular Properties

• Compound Name: 4-[(2,6-dichlorophenyl)methoxy]-N-methyl-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(2,6-dichlorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(2,6-difluorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(2,6-dimethylphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine
• PubChem CID: 165104759
• Molecular Formula: C79H60Cl4F2N12O8
• Molecular Weight: 1485.23 g/mol
• Exact Mass: 1482.34
• IUPAC Name: 4-[(2,6-dichlorophenyl)methoxy]-N-methyl-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(2,6-dichlorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(2,6-difluorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(2,6-dimethylphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine
• SMILES: CN(c1cccnc1)c1noc2cccc(OCc3c(Cl)cccc3Cl)c12.Cc1cccc(C)c1COc1cccc2onc(Nc3cccnc3)c12.Clc1cccc(Cl)c1COc1cccc2onc(Nc3cccnc3)c12.Fc1cccc(F)c1COc1cccc2onc(Nc3cccnc3)c12
• InChI: InChI=1S/C21H19N3O2.C20H15Cl2N3O2.C19H13Cl2N3O2.C19H13F2N3O2/c1-14-6-3-7-15(2)17(14)13-25-18-9-4-10-19-20(18)21(24-26-19)23-16-8-5-11-22-12-16;1-25(13-5-4-10-23-11-13)20-19-17(8-3-9-18(19)27-24-20)26-12-14-15(21)6-2-7-16(14)22;2*20-14-5-1-6-15(21)13(14)11-25-16-7-2-8-17-18(16)19(24-26-17)23-12-4-3-9-22-10-12/h3-12H,13H2,1-2H3,(H,23,24);2-11H,12H2,1H3;2*1-10H,11H2,(H,23,24)
• InChIKey: YYBIZSRZKAPUEI-UHFFFAOYSA-N
• XLogP: 21.71
• TPSA: 231.93 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 20
• Rotatable Bonds: 20
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1485.23
LogP ≤ 5	21.71
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dichlorophenyl)methoxy]-N-methyl-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(2,6-dichlorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(2,6-difluorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(2,6-dimethylphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine?

The IUPAC name of 4-[(2,6-dichlorophenyl)methoxy]-N-methyl-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(2,6-dichlorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(2,6-difluorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(2,6-dimethylphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine (CID 165104759) is 4-[(2,6-dichlorophenyl)methoxy]-N-methyl-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(2,6-dichlorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(2,6-difluorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(2,6-dimethylphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine.

What is the SMILES notation for 4-[(2,6-dichlorophenyl)methoxy]-N-methyl-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(2,6-dichlorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(2,6-difluorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(2,6-dimethylphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine?

The canonical SMILES for 4-[(2,6-dichlorophenyl)methoxy]-N-methyl-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(2,6-dichlorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(2,6-difluorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(2,6-dimethylphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine is CN(c1cccnc1)c1noc2cccc(OCc3c(Cl)cccc3Cl)c12.Cc1cccc(C)c1COc1cccc2onc(Nc3cccnc3)c12.Clc1cccc(Cl)c1COc1cccc2onc(Nc3cccnc3)c12.Fc1cccc(F)c1COc1cccc2onc(Nc3cccnc3)c12.

What is the InChIKey of 4-[(2,6-dichlorophenyl)methoxy]-N-methyl-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(2,6-dichlorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(2,6-difluorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(2,6-dimethylphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine?

The InChIKey is YYBIZSRZKAPUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2.C20H15Cl2N3O2.C19H13Cl2N3O2.C19H13F2N3O2/c1-14-6-3-7-15(2)17(14)13-25-18-9-4-10-19-20(18)21(24-26-19)23-16-8-5-11-22-12-16;1-25(13-5-4-10-23-11-13)20-19-17(8-3-9-18(19)27-24-20)26-12-14-15(21)6-2-7-16(14)22;2*20-14-5-1-6-15(21)13(14)11-25-16-7-2-8-17-18(16)19(24-26-17)23-12-4-3-9-22-10-12/h3-12H,13H2,1-2H3,(H,23,24);2-11H,12H2,1H3;2*1-10H,11H2,(H,23,24).

What are the key properties of 4-[(2,6-dichlorophenyl)methoxy]-N-methyl-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(2,6-dichlorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(2,6-difluorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(2,6-dimethylphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine?

4-[(2,6-dichlorophenyl)methoxy]-N-methyl-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(2,6-dichlorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(2,6-difluorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(2,6-dimethylphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine has a molecular weight of 1485.23 g/mol, XLogP of 21.71, 20 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(2,6-dichlorophenyl)methoxy]-N-methyl-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(2,6-dichlorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(2,6-difluorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(2,6-dimethylphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine is sourced from PubChem (CID 165104759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).