3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)benzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1,5-dimethylpyrazole-3-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-5-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole-3-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-5-methyl-1,2-oxazole-3-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(5-methyltetrazol-1-yl)benzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(tetrazol-1-yl)benzamide

C101H68F12N30O21 — CID 157126126

About 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)benzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1,5-dimethylpyrazole-3-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-5-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole-3-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-5-methyl-1,2-oxazole-3-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(5-methyltetrazol-1-yl)benzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(tetrazol-1-yl)benzamide

3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)benzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1,5-dimethylpyrazole-3-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-5-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole-3-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-5-methyl-1,2-oxazole-3-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(5-methyltetrazol-1-yl)benzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(tetrazol-1-yl)benzamide (PubChem CID 157126126) has the molecular formula C101H68F12N30O21 and a molecular weight of 2265.82 g/mol. Its IUPAC name is 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)benzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1,5-dimethylpyrazole-3-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-5-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole-3-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-5-methyl-1,2-oxazole-3-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(5-methyltetrazol-1-yl)benzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(tetrazol-1-yl)benzamide.

Molecular Properties

• Compound Name: 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)benzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1,5-dimethylpyrazole-3-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-5-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole-3-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-5-methyl-1,2-oxazole-3-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(5-methyltetrazol-1-yl)benzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(tetrazol-1-yl)benzamide
• PubChem CID: 157126126
• Molecular Formula: C101H68F12N30O21
• Molecular Weight: 2265.82 g/mol
• Exact Mass: 2264.50
• IUPAC Name: 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)benzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1,5-dimethylpyrazole-3-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-5-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole-3-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-5-methyl-1,2-oxazole-3-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(5-methyltetrazol-1-yl)benzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(tetrazol-1-yl)benzamide
• SMILES: Cc1cc(C(=O)NC2=Nc3cc4c(cc3C2)OC(F)(F)O4)no1.Cc1cc(C(=O)Nc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)nn1C.Cc1nn(C)cc1-c1cc(C(=O)NC2=Nc3cc4c(cc3C2)OC(F)(F)O4)no1.Cc1nnnn1-c1cccc(C(=O)NC2=Nc3cc4c(cc3C2)OC(F)(F)O4)c1.O=C(NC1=Nc2cc3c(cc2C1)OC(F)(F)O3)c1cccc(-n2cnnn2)c1.O=C(Nc1nc2cc3c(cc2[nH]1)OC(F)(F)O3)c1cccc(-c2noc(C3CC3)n2)c1
• InChI: InChI=1S/C20H13F2N5O4.C18H12F2N6O3.C18H13F2N5O4.C17H10F2N6O3.C14H11F2N5O3.C14H9F2N3O4/c21-20(22)29-14-7-12-13(8-15(14)30-20)24-19(23-12)26-17(28)11-3-1-2-10(6-11)16-25-18(31-27-16)9-4-5-9;1-9-23-24-25-26(9)12-4-2-3-10(5-12)17(27)22-16-7-11-6-14-15(8-13(11)21-16)29-18(19,20)28-14;1-8-10(7-25(2)23-8)13-6-12(24-29-13)17(26)22-16-4-9-3-14-15(5-11(9)21-16)28-18(19,20)27-14;18-17(19)27-13-5-10-6-15(21-12(10)7-14(13)28-17)22-16(26)9-2-1-3-11(4-9)25-8-20-23-24-25;1-6-3-9(20-21(6)2)12(22)19-13-17-7-4-10-11(5-8(7)18-13)24-14(15,16)23-10;1-6-2-9(19-23-6)13(20)18-12-4-7-3-10-11(5-8(7)17-12)22-14(15,16)21-10/h1-3,6-9H,4-5H2,(H2,23,24,26,28);2-6,8H,7H2,1H3,(H,21,22,27);3,5-7H,4H2,1-2H3,(H,21,22,26);1-5,7-8H,6H2,(H,21,22,26);3-5H,1-2H3,(H2,17,18,19,22);2-3,5H,4H2,1H3,(H,17,18,20)
• InChIKey: AINHZMRLLFTLPM-UHFFFAOYSA-N
• XLogP: 15.59
• TPSA: 605.98 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 43
• Rotatable Bonds: 13
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2265.82
LogP ≤ 5	15.59
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	43

Frequently Asked Questions

What is the IUPAC name of 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)benzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1,5-dimethylpyrazole-3-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-5-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole-3-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-5-methyl-1,2-oxazole-3-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(5-methyltetrazol-1-yl)benzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(tetrazol-1-yl)benzamide?

The IUPAC name of 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)benzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1,5-dimethylpyrazole-3-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-5-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole-3-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-5-methyl-1,2-oxazole-3-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(5-methyltetrazol-1-yl)benzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(tetrazol-1-yl)benzamide (CID 157126126) is 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)benzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1,5-dimethylpyrazole-3-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-5-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole-3-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-5-methyl-1,2-oxazole-3-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(5-methyltetrazol-1-yl)benzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(tetrazol-1-yl)benzamide.

What is the SMILES notation for 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)benzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1,5-dimethylpyrazole-3-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-5-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole-3-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-5-methyl-1,2-oxazole-3-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(5-methyltetrazol-1-yl)benzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(tetrazol-1-yl)benzamide?

The canonical SMILES for 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)benzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1,5-dimethylpyrazole-3-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-5-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole-3-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-5-methyl-1,2-oxazole-3-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(5-methyltetrazol-1-yl)benzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(tetrazol-1-yl)benzamide is Cc1cc(C(=O)NC2=Nc3cc4c(cc3C2)OC(F)(F)O4)no1.Cc1cc(C(=O)Nc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)nn1C.Cc1nn(C)cc1-c1cc(C(=O)NC2=Nc3cc4c(cc3C2)OC(F)(F)O4)no1.Cc1nnnn1-c1cccc(C(=O)NC2=Nc3cc4c(cc3C2)OC(F)(F)O4)c1.O=C(NC1=Nc2cc3c(cc2C1)OC(F)(F)O3)c1cccc(-n2cnnn2)c1.O=C(Nc1nc2cc3c(cc2[nH]1)OC(F)(F)O3)c1cccc(-c2noc(C3CC3)n2)c1.

What is the InChIKey of 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)benzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1,5-dimethylpyrazole-3-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-5-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole-3-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-5-methyl-1,2-oxazole-3-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(5-methyltetrazol-1-yl)benzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(tetrazol-1-yl)benzamide?

The InChIKey is AINHZMRLLFTLPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F2N5O4.C18H12F2N6O3.C18H13F2N5O4.C17H10F2N6O3.C14H11F2N5O3.C14H9F2N3O4/c21-20(22)29-14-7-12-13(8-15(14)30-20)24-19(23-12)26-17(28)11-3-1-2-10(6-11)16-25-18(31-27-16)9-4-5-9;1-9-23-24-25-26(9)12-4-2-3-10(5-12)17(27)22-16-7-11-6-14-15(8-13(11)21-16)29-18(19,20)28-14;1-8-10(7-25(2)23-8)13-6-12(24-29-13)17(26)22-16-4-9-3-14-15(5-11(9)21-16)28-18(19,20)27-14;18-17(19)27-13-5-10-6-15(21-12(10)7-14(13)28-17)22-16(26)9-2-1-3-11(4-9)25-8-20-23-24-25;1-6-3-9(20-21(6)2)12(22)19-13-17-7-4-10-11(5-8(7)18-13)24-14(15,16)23-10;1-6-2-9(19-23-6)13(20)18-12-4-7-3-10-11(5-8(7)17-12)22-14(15,16)21-10/h1-3,6-9H,4-5H2,(H2,23,24,26,28);2-6,8H,7H2,1H3,(H,21,22,27);3,5-7H,4H2,1-2H3,(H,21,22,26);1-5,7-8H,6H2,(H,21,22,26);3-5H,1-2H3,(H2,17,18,19,22);2-3,5H,4H2,1H3,(H,17,18,20).

What are the key properties of 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)benzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1,5-dimethylpyrazole-3-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-5-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole-3-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-5-methyl-1,2-oxazole-3-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(5-methyltetrazol-1-yl)benzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(tetrazol-1-yl)benzamide?

3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)benzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1,5-dimethylpyrazole-3-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-5-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole-3-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-5-methyl-1,2-oxazole-3-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(5-methyltetrazol-1-yl)benzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(tetrazol-1-yl)benzamide has a molecular weight of 2265.82 g/mol, XLogP of 15.59, 13 rotatable bonds, 8 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)benzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1,5-dimethylpyrazole-3-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-5-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole-3-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-5-methyl-1,2-oxazole-3-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(5-methyltetrazol-1-yl)benzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 157126126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).