N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2,5-dimethyl-1,3-oxazole-4-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-4-methylfuran-3-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-2,5-dimethyl-1,3-oxazole-4-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-4-methyl-1,2-oxazole-5-carboxamide

C116H84Cl3F12N11O24 — CID 159856322

About N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2,5-dimethyl-1,3-oxazole-4-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-4-methylfuran-3-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-2,5-dimethyl-1,3-oxazole-4-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-4-methyl-1,2-oxazole-5-carboxamide

N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2,5-dimethyl-1,3-oxazole-4-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-4-methylfuran-3-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-2,5-dimethyl-1,3-oxazole-4-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-4-methyl-1,2-oxazole-5-carboxamide (PubChem CID 159856322) has the molecular formula C116H84Cl3F12N11O24 and a molecular weight of 2350.34 g/mol. Its IUPAC name is N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2,5-dimethyl-1,3-oxazole-4-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-4-methylfuran-3-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-2,5-dimethyl-1,3-oxazole-4-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-4-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2,5-dimethyl-1,3-oxazole-4-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-4-methylfuran-3-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-2,5-dimethyl-1,3-oxazole-4-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-4-methyl-1,2-oxazole-5-carboxamide
• PubChem CID: 159856322
• Molecular Formula: C116H84Cl3F12N11O24
• Molecular Weight: 2350.34 g/mol
• Exact Mass: 2347.46
• IUPAC Name: N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2,5-dimethyl-1,3-oxazole-4-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-4-methylfuran-3-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-2,5-dimethyl-1,3-oxazole-4-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-4-methyl-1,2-oxazole-5-carboxamide
• SMILES: Cc1cc2c(cc1-c1ccc(NC(=O)c3oncc3C)cc1)OC(F)(F)O2.Cc1cocc1C(=O)Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cc1.Cc1nc(C(=O)Nc2ccc(-c3cc4c(cc3C)OC(F)(F)O4)cc2)c(C)o1.Cc1nc(C(=O)Nc2ccc(-c3cc4c(cc3Cl)OC(F)(F)O4)cc2)c(C)o1.Cc1nc(C)c(C(=O)Nc2ccc(-c3cc4c(cc3C)OC(F)(F)O4)cc2)o1.Cc1nc(C)c(C(=O)Nc2ccc(-c3cc4c(cc3Cl)OC(F)(F)O4)cc2)o1
• InChI: InChI=1S/2C20H16F2N2O4.2C19H13ClF2N2O4.C19H12ClF2NO4.C19H14F2N2O4/c1-10-8-16-17(28-20(21,22)27-16)9-15(10)13-4-6-14(7-5-13)24-19(25)18-11(2)26-12(3)23-18;1-10-8-16-17(28-20(21,22)27-16)9-15(10)13-4-6-14(7-5-13)24-19(25)18-11(2)23-12(3)26-18;1-9-17(23-10(2)26-9)18(25)24-12-5-3-11(4-6-12)13-7-15-16(8-14(13)20)28-19(21,22)27-15;1-9-17(26-10(2)23-9)18(25)24-12-5-3-11(4-6-12)13-7-15-16(8-14(13)20)28-19(21,22)27-15;1-10-8-25-9-14(10)18(24)23-12-4-2-11(3-5-12)13-6-16-17(7-15(13)20)27-19(21,22)26-16;1-10-7-15-16(26-19(20,21)25-15)8-14(10)12-3-5-13(6-4-12)23-18(24)17-11(2)9-22-27-17/h2*4-9H,1-3H3,(H,24,25);2*3-8H,1-2H3,(H,24,25);2-9H,1H3,(H,23,24);3-9H,1-2H3,(H,23,24)
• InChIKey: NQOQCUYJSJICGC-UHFFFAOYSA-N
• XLogP: 30.07
• TPSA: 428.65 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 29
• Rotatable Bonds: 18
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2350.34
LogP ≤ 5	30.07
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2,5-dimethyl-1,3-oxazole-4-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-4-methylfuran-3-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-2,5-dimethyl-1,3-oxazole-4-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-4-methyl-1,2-oxazole-5-carboxamide?

The IUPAC name of N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2,5-dimethyl-1,3-oxazole-4-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-4-methylfuran-3-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-2,5-dimethyl-1,3-oxazole-4-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-4-methyl-1,2-oxazole-5-carboxamide (CID 159856322) is N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2,5-dimethyl-1,3-oxazole-4-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-4-methylfuran-3-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-2,5-dimethyl-1,3-oxazole-4-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-4-methyl-1,2-oxazole-5-carboxamide.

What is the SMILES notation for N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2,5-dimethyl-1,3-oxazole-4-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-4-methylfuran-3-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-2,5-dimethyl-1,3-oxazole-4-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-4-methyl-1,2-oxazole-5-carboxamide?

The canonical SMILES for N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2,5-dimethyl-1,3-oxazole-4-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-4-methylfuran-3-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-2,5-dimethyl-1,3-oxazole-4-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-4-methyl-1,2-oxazole-5-carboxamide is Cc1cc2c(cc1-c1ccc(NC(=O)c3oncc3C)cc1)OC(F)(F)O2.Cc1cocc1C(=O)Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cc1.Cc1nc(C(=O)Nc2ccc(-c3cc4c(cc3C)OC(F)(F)O4)cc2)c(C)o1.Cc1nc(C(=O)Nc2ccc(-c3cc4c(cc3Cl)OC(F)(F)O4)cc2)c(C)o1.Cc1nc(C)c(C(=O)Nc2ccc(-c3cc4c(cc3C)OC(F)(F)O4)cc2)o1.Cc1nc(C)c(C(=O)Nc2ccc(-c3cc4c(cc3Cl)OC(F)(F)O4)cc2)o1.

What is the InChIKey of N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2,5-dimethyl-1,3-oxazole-4-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-4-methylfuran-3-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-2,5-dimethyl-1,3-oxazole-4-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-4-methyl-1,2-oxazole-5-carboxamide?

The InChIKey is NQOQCUYJSJICGC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H16F2N2O4.2C19H13ClF2N2O4.C19H12ClF2NO4.C19H14F2N2O4/c1-10-8-16-17(28-20(21,22)27-16)9-15(10)13-4-6-14(7-5-13)24-19(25)18-11(2)26-12(3)23-18;1-10-8-16-17(28-20(21,22)27-16)9-15(10)13-4-6-14(7-5-13)24-19(25)18-11(2)23-12(3)26-18;1-9-17(23-10(2)26-9)18(25)24-12-5-3-11(4-6-12)13-7-15-16(8-14(13)20)28-19(21,22)27-15;1-9-17(26-10(2)23-9)18(25)24-12-5-3-11(4-6-12)13-7-15-16(8-14(13)20)28-19(21,22)27-15;1-10-8-25-9-14(10)18(24)23-12-4-2-11(3-5-12)13-6-16-17(7-15(13)20)27-19(21,22)26-16;1-10-7-15-16(26-19(20,21)25-15)8-14(10)12-3-5-13(6-4-12)23-18(24)17-11(2)9-22-27-17/h2*4-9H,1-3H3,(H,24,25);2*3-8H,1-2H3,(H,24,25);2-9H,1H3,(H,23,24);3-9H,1-2H3,(H,23,24).

What are the key properties of N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2,5-dimethyl-1,3-oxazole-4-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-4-methylfuran-3-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-2,5-dimethyl-1,3-oxazole-4-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-4-methyl-1,2-oxazole-5-carboxamide?

N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2,5-dimethyl-1,3-oxazole-4-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-4-methylfuran-3-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-2,5-dimethyl-1,3-oxazole-4-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-4-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 2350.34 g/mol, XLogP of 30.07, 18 rotatable bonds, 6 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2,5-dimethyl-1,3-oxazole-4-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-4-methylfuran-3-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-2,5-dimethyl-1,3-oxazole-4-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-4-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 159856322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).