3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;6-bromo-3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;6-bromo-3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylthiophen-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzamide;3-[[4-[[(1R)-1-(furan-2-yl)-2,2-dimethylpropyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide

C107H130Br2F3N25O20S — CID 158804780

About 3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;6-bromo-3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;6-bromo-3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylthiophen-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzamide;3-[[4-[[(1R)-1-(furan-2-yl)-2,2-dimethylpropyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide

3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;6-bromo-3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;6-bromo-3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylthiophen-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzamide;3-[[4-[[(1R)-1-(furan-2-yl)-2,2-dimethylpropyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide (PubChem CID 158804780) has the molecular formula C107H130Br2F3N25O20S and a molecular weight of 2335.24 g/mol. Its IUPAC name is 3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;6-bromo-3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;6-bromo-3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylthiophen-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzamide;3-[[4-[[(1R)-1-(furan-2-yl)-2,2-dimethylpropyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide.

Molecular Properties

• Compound Name: 3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;6-bromo-3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;6-bromo-3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylthiophen-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzamide;3-[[4-[[(1R)-1-(furan-2-yl)-2,2-dimethylpropyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide
• PubChem CID: 158804780
• Molecular Formula: C107H130Br2F3N25O20S
• Molecular Weight: 2335.24 g/mol
• Exact Mass: 2331.80
• IUPAC Name: 3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;6-bromo-3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;6-bromo-3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylthiophen-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzamide;3-[[4-[[(1R)-1-(furan-2-yl)-2,2-dimethylpropyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide
• SMILES: CN(C)C(=O)c1cccc(Nc2nonc2N[C@@H](c2ccc3c(c2)OCO3)C(C)(C)C)c1O.CN(C)C(=O)c1cccc(Nc2nonc2N[C@@H](c2ccco2)C(C)(C)C)c1O.Cc1ccc([C@H](Nc2nonc2Nc2ccc(Br)c(C(=O)N(C)C)c2O)C(C)(C)C)o1.Cc1ccc([C@H](Nc2nonc2Nc2ccc(Br)c(C(=O)N(C)C)c2O)C(C)(C)C)s1.Cc1ccc([C@H](Nc2nonc2Nc2ccc(C(F)(F)F)c(C(=O)N(C)C)c2O)C(C)(C)C)o1
• InChI: InChI=1S/C23H27N5O5.C22H26F3N5O4.C21H26BrN5O4.C21H26BrN5O3S.C20H25N5O4/c1-23(2,3)19(13-9-10-16-17(11-13)32-12-31-16)25-21-20(26-33-27-21)24-15-8-6-7-14(18(15)29)22(30)28(4)5;1-11-7-10-14(33-11)17(21(2,3)4)27-19-18(28-34-29-19)26-13-9-8-12(22(23,24)25)15(16(13)31)20(32)30(5)6;1-11-7-10-14(30-11)17(21(2,3)4)24-19-18(25-31-26-19)23-13-9-8-12(22)15(16(13)28)20(29)27(5)6;1-11-7-10-14(31-11)17(21(2,3)4)24-19-18(25-30-26-19)23-13-9-8-12(22)15(16(13)28)20(29)27(5)6;1-20(2,3)16(14-10-7-11-28-14)22-18-17(23-29-24-18)21-13-9-6-8-12(15(13)26)19(27)25(4)5/h6-11,19,29H,12H2,1-5H3,(H,24,26)(H,25,27);7-10,17,31H,1-6H3,(H,26,28)(H,27,29);2*7-10,17,28H,1-6H3,(H,23,25)(H,24,26);6-11,16,26H,1-5H3,(H,21,23)(H,22,24)/t19-;3*17-;16-/m00000/s1
• InChIKey: ITYAGOFOVHKRNY-PUNHFAFXSA-N
• XLogP: 24.14
• TPSA: 575.48 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 41
• Rotatable Bonds: 30
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2335.24
LogP ≤ 5	24.14
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'catechol', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;6-bromo-3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;6-bromo-3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylthiophen-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzamide;3-[[4-[[(1R)-1-(furan-2-yl)-2,2-dimethylpropyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide?

The IUPAC name of 3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;6-bromo-3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;6-bromo-3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylthiophen-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzamide;3-[[4-[[(1R)-1-(furan-2-yl)-2,2-dimethylpropyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide (CID 158804780) is 3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;6-bromo-3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;6-bromo-3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylthiophen-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzamide;3-[[4-[[(1R)-1-(furan-2-yl)-2,2-dimethylpropyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide.

What is the SMILES notation for 3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;6-bromo-3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;6-bromo-3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylthiophen-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzamide;3-[[4-[[(1R)-1-(furan-2-yl)-2,2-dimethylpropyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide?

The canonical SMILES for 3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;6-bromo-3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;6-bromo-3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylthiophen-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzamide;3-[[4-[[(1R)-1-(furan-2-yl)-2,2-dimethylpropyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide is CN(C)C(=O)c1cccc(Nc2nonc2N[C@@H](c2ccc3c(c2)OCO3)C(C)(C)C)c1O.CN(C)C(=O)c1cccc(Nc2nonc2N[C@@H](c2ccco2)C(C)(C)C)c1O.Cc1ccc([C@H](Nc2nonc2Nc2ccc(Br)c(C(=O)N(C)C)c2O)C(C)(C)C)o1.Cc1ccc([C@H](Nc2nonc2Nc2ccc(Br)c(C(=O)N(C)C)c2O)C(C)(C)C)s1.Cc1ccc([C@H](Nc2nonc2Nc2ccc(C(F)(F)F)c(C(=O)N(C)C)c2O)C(C)(C)C)o1.

What is the InChIKey of 3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;6-bromo-3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;6-bromo-3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylthiophen-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzamide;3-[[4-[[(1R)-1-(furan-2-yl)-2,2-dimethylpropyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide?

The InChIKey is ITYAGOFOVHKRNY-PUNHFAFXSA-N. The full InChI is InChI=1S/C23H27N5O5.C22H26F3N5O4.C21H26BrN5O4.C21H26BrN5O3S.C20H25N5O4/c1-23(2,3)19(13-9-10-16-17(11-13)32-12-31-16)25-21-20(26-33-27-21)24-15-8-6-7-14(18(15)29)22(30)28(4)5;1-11-7-10-14(33-11)17(21(2,3)4)27-19-18(28-34-29-19)26-13-9-8-12(22(23,24)25)15(16(13)31)20(32)30(5)6;1-11-7-10-14(30-11)17(21(2,3)4)24-19-18(25-31-26-19)23-13-9-8-12(22)15(16(13)28)20(29)27(5)6;1-11-7-10-14(31-11)17(21(2,3)4)24-19-18(25-30-26-19)23-13-9-8-12(22)15(16(13)28)20(29)27(5)6;1-20(2,3)16(14-10-7-11-28-14)22-18-17(23-29-24-18)21-13-9-6-8-12(15(13)26)19(27)25(4)5/h6-11,19,29H,12H2,1-5H3,(H,24,26)(H,25,27);7-10,17,31H,1-6H3,(H,26,28)(H,27,29);2*7-10,17,28H,1-6H3,(H,23,25)(H,24,26);6-11,16,26H,1-5H3,(H,21,23)(H,22,24)/t19-;3*17-;16-/m00000/s1.

What are the key properties of 3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;6-bromo-3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;6-bromo-3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylthiophen-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzamide;3-[[4-[[(1R)-1-(furan-2-yl)-2,2-dimethylpropyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide?

3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;6-bromo-3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;6-bromo-3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylthiophen-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzamide;3-[[4-[[(1R)-1-(furan-2-yl)-2,2-dimethylpropyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide has a molecular weight of 2335.24 g/mol, XLogP of 24.14, 30 rotatable bonds, 15 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;6-bromo-3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;6-bromo-3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylthiophen-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzamide;3-[[4-[[(1R)-1-(furan-2-yl)-2,2-dimethylpropyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide is sourced from PubChem (CID 158804780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).