(3R)-3-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-cyclohexyl-N-hydroxyhexanamide;(3R)-6-cyclohexyl-N-hydroxy-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]hexanamide;(3R)-6-cyclohexyl-N-hydroxy-3-[3-[3-(methylamino)pyrazin-2-yl]-1,2,4-oxadiazol-5-yl]hexanamide;(3R)-6-cyclohexyl-N-hydroxy-3-(3-phenyl-1,2,4-oxadiazol-5-yl)hexanamide;ethyl 4-[5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]benzoate

C104H142N18O20 — CID 158243138

About (3R)-3-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-cyclohexyl-N-hydroxyhexanamide;(3R)-6-cyclohexyl-N-hydroxy-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]hexanamide;(3R)-6-cyclohexyl-N-hydroxy-3-[3-[3-(methylamino)pyrazin-2-yl]-1,2,4-oxadiazol-5-yl]hexanamide;(3R)-6-cyclohexyl-N-hydroxy-3-(3-phenyl-1,2,4-oxadiazol-5-yl)hexanamide;ethyl 4-[5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]benzoate

(3R)-3-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-cyclohexyl-N-hydroxyhexanamide;(3R)-6-cyclohexyl-N-hydroxy-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]hexanamide;(3R)-6-cyclohexyl-N-hydroxy-3-[3-[3-(methylamino)pyrazin-2-yl]-1,2,4-oxadiazol-5-yl]hexanamide;(3R)-6-cyclohexyl-N-hydroxy-3-(3-phenyl-1,2,4-oxadiazol-5-yl)hexanamide;ethyl 4-[5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]benzoate (PubChem CID 158243138) has the molecular formula C104H142N18O20 and a molecular weight of 1964.39 g/mol. Its IUPAC name is (3R)-3-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-cyclohexyl-N-hydroxyhexanamide;(3R)-6-cyclohexyl-N-hydroxy-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]hexanamide;(3R)-6-cyclohexyl-N-hydroxy-3-[3-[3-(methylamino)pyrazin-2-yl]-1,2,4-oxadiazol-5-yl]hexanamide;(3R)-6-cyclohexyl-N-hydroxy-3-(3-phenyl-1,2,4-oxadiazol-5-yl)hexanamide;ethyl 4-[5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]benzoate.

Molecular Properties

• Compound Name: (3R)-3-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-cyclohexyl-N-hydroxyhexanamide;(3R)-6-cyclohexyl-N-hydroxy-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]hexanamide;(3R)-6-cyclohexyl-N-hydroxy-3-[3-[3-(methylamino)pyrazin-2-yl]-1,2,4-oxadiazol-5-yl]hexanamide;(3R)-6-cyclohexyl-N-hydroxy-3-(3-phenyl-1,2,4-oxadiazol-5-yl)hexanamide;ethyl 4-[5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]benzoate
• PubChem CID: 158243138
• Molecular Formula: C104H142N18O20
• Molecular Weight: 1964.39 g/mol
• Exact Mass: 1963.06
• IUPAC Name: (3R)-3-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-cyclohexyl-N-hydroxyhexanamide;(3R)-6-cyclohexyl-N-hydroxy-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]hexanamide;(3R)-6-cyclohexyl-N-hydroxy-3-[3-[3-(methylamino)pyrazin-2-yl]-1,2,4-oxadiazol-5-yl]hexanamide;(3R)-6-cyclohexyl-N-hydroxy-3-(3-phenyl-1,2,4-oxadiazol-5-yl)hexanamide;ethyl 4-[5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]benzoate
• SMILES: CCOC(=O)c1ccc(-c2noc([C@H](CCCC3CCCCC3)CC(=O)NO)n2)cc1.CNc1nccnc1-c1noc([C@H](CCCC2CCCCC2)CC(=O)NO)n1.COc1ccc(-c2noc([C@H](CCCC3CCCCC3)CC(=O)NO)n2)cc1.O=C(C[C@@H](CCCC1CCCCC1)c1nc(-c2ccc3c(c2)OCO3)no1)NO.O=C(C[C@@H](CCCC1CCCCC1)c1nc(-c2ccccc2)no1)NO
• InChI: InChI=1S/C23H31N3O5.C21H27N3O5.C21H29N3O4.C20H27N3O3.C19H28N6O3/c1-2-30-23(28)18-13-11-17(12-14-18)21-24-22(31-26-21)19(15-20(27)25-29)10-6-9-16-7-4-3-5-8-16;25-19(23-26)12-16(8-4-7-14-5-2-1-3-6-14)21-22-20(24-29-21)15-9-10-17-18(11-15)28-13-27-17;1-27-18-12-10-16(11-13-18)20-22-21(28-24-20)17(14-19(25)23-26)9-5-8-15-6-3-2-4-7-15;24-18(22-25)14-17(13-7-10-15-8-3-1-4-9-15)20-21-19(23-26-20)16-11-5-2-6-12-16;1-20-17-16(21-10-11-22-17)18-23-19(28-25-18)14(12-15(26)24-27)9-5-8-13-6-3-2-4-7-13/h11-14,16,19,29H,2-10,15H2,1H3,(H,25,27);9-11,14,16,26H,1-8,12-13H2,(H,23,25);10-13,15,17,26H,2-9,14H2,1H3,(H,23,25);2,5-6,11-12,15,17,25H,1,3-4,7-10,13-14H2,(H,22,24);10-11,13-14,27H,2-9,12H2,1H3,(H,20,22)(H,24,26)/t19-;16-;2*17-;14-/m11111/s1
• InChIKey: GFUJEAJQVGNMQX-FWRRVMNNSA-N
• XLogP: 21.08
• TPSA: 533.05 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 33
• Rotatable Bonds: 44
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1964.39
LogP ≤ 5	21.08
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-cyclohexyl-N-hydroxyhexanamide;(3R)-6-cyclohexyl-N-hydroxy-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]hexanamide;(3R)-6-cyclohexyl-N-hydroxy-3-[3-[3-(methylamino)pyrazin-2-yl]-1,2,4-oxadiazol-5-yl]hexanamide;(3R)-6-cyclohexyl-N-hydroxy-3-(3-phenyl-1,2,4-oxadiazol-5-yl)hexanamide;ethyl 4-[5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]benzoate?

The IUPAC name of (3R)-3-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-cyclohexyl-N-hydroxyhexanamide;(3R)-6-cyclohexyl-N-hydroxy-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]hexanamide;(3R)-6-cyclohexyl-N-hydroxy-3-[3-[3-(methylamino)pyrazin-2-yl]-1,2,4-oxadiazol-5-yl]hexanamide;(3R)-6-cyclohexyl-N-hydroxy-3-(3-phenyl-1,2,4-oxadiazol-5-yl)hexanamide;ethyl 4-[5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]benzoate (CID 158243138) is (3R)-3-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-cyclohexyl-N-hydroxyhexanamide;(3R)-6-cyclohexyl-N-hydroxy-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]hexanamide;(3R)-6-cyclohexyl-N-hydroxy-3-[3-[3-(methylamino)pyrazin-2-yl]-1,2,4-oxadiazol-5-yl]hexanamide;(3R)-6-cyclohexyl-N-hydroxy-3-(3-phenyl-1,2,4-oxadiazol-5-yl)hexanamide;ethyl 4-[5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]benzoate.

What is the SMILES notation for (3R)-3-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-cyclohexyl-N-hydroxyhexanamide;(3R)-6-cyclohexyl-N-hydroxy-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]hexanamide;(3R)-6-cyclohexyl-N-hydroxy-3-[3-[3-(methylamino)pyrazin-2-yl]-1,2,4-oxadiazol-5-yl]hexanamide;(3R)-6-cyclohexyl-N-hydroxy-3-(3-phenyl-1,2,4-oxadiazol-5-yl)hexanamide;ethyl 4-[5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]benzoate?

The canonical SMILES for (3R)-3-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-cyclohexyl-N-hydroxyhexanamide;(3R)-6-cyclohexyl-N-hydroxy-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]hexanamide;(3R)-6-cyclohexyl-N-hydroxy-3-[3-[3-(methylamino)pyrazin-2-yl]-1,2,4-oxadiazol-5-yl]hexanamide;(3R)-6-cyclohexyl-N-hydroxy-3-(3-phenyl-1,2,4-oxadiazol-5-yl)hexanamide;ethyl 4-[5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]benzoate is CCOC(=O)c1ccc(-c2noc([C@H](CCCC3CCCCC3)CC(=O)NO)n2)cc1.CNc1nccnc1-c1noc([C@H](CCCC2CCCCC2)CC(=O)NO)n1.COc1ccc(-c2noc([C@H](CCCC3CCCCC3)CC(=O)NO)n2)cc1.O=C(C[C@@H](CCCC1CCCCC1)c1nc(-c2ccc3c(c2)OCO3)no1)NO.O=C(C[C@@H](CCCC1CCCCC1)c1nc(-c2ccccc2)no1)NO.

What is the InChIKey of (3R)-3-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-cyclohexyl-N-hydroxyhexanamide;(3R)-6-cyclohexyl-N-hydroxy-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]hexanamide;(3R)-6-cyclohexyl-N-hydroxy-3-[3-[3-(methylamino)pyrazin-2-yl]-1,2,4-oxadiazol-5-yl]hexanamide;(3R)-6-cyclohexyl-N-hydroxy-3-(3-phenyl-1,2,4-oxadiazol-5-yl)hexanamide;ethyl 4-[5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]benzoate?

The InChIKey is GFUJEAJQVGNMQX-FWRRVMNNSA-N. The full InChI is InChI=1S/C23H31N3O5.C21H27N3O5.C21H29N3O4.C20H27N3O3.C19H28N6O3/c1-2-30-23(28)18-13-11-17(12-14-18)21-24-22(31-26-21)19(15-20(27)25-29)10-6-9-16-7-4-3-5-8-16;25-19(23-26)12-16(8-4-7-14-5-2-1-3-6-14)21-22-20(24-29-21)15-9-10-17-18(11-15)28-13-27-17;1-27-18-12-10-16(11-13-18)20-22-21(28-24-20)17(14-19(25)23-26)9-5-8-15-6-3-2-4-7-15;24-18(22-25)14-17(13-7-10-15-8-3-1-4-9-15)20-21-19(23-26-20)16-11-5-2-6-12-16;1-20-17-16(21-10-11-22-17)18-23-19(28-25-18)14(12-15(26)24-27)9-5-8-13-6-3-2-4-7-13/h11-14,16,19,29H,2-10,15H2,1H3,(H,25,27);9-11,14,16,26H,1-8,12-13H2,(H,23,25);10-13,15,17,26H,2-9,14H2,1H3,(H,23,25);2,5-6,11-12,15,17,25H,1,3-4,7-10,13-14H2,(H,22,24);10-11,13-14,27H,2-9,12H2,1H3,(H,20,22)(H,24,26)/t19-;16-;2*17-;14-/m11111/s1.

What are the key properties of (3R)-3-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-cyclohexyl-N-hydroxyhexanamide;(3R)-6-cyclohexyl-N-hydroxy-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]hexanamide;(3R)-6-cyclohexyl-N-hydroxy-3-[3-[3-(methylamino)pyrazin-2-yl]-1,2,4-oxadiazol-5-yl]hexanamide;(3R)-6-cyclohexyl-N-hydroxy-3-(3-phenyl-1,2,4-oxadiazol-5-yl)hexanamide;ethyl 4-[5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]benzoate?

(3R)-3-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-cyclohexyl-N-hydroxyhexanamide;(3R)-6-cyclohexyl-N-hydroxy-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]hexanamide;(3R)-6-cyclohexyl-N-hydroxy-3-[3-[3-(methylamino)pyrazin-2-yl]-1,2,4-oxadiazol-5-yl]hexanamide;(3R)-6-cyclohexyl-N-hydroxy-3-(3-phenyl-1,2,4-oxadiazol-5-yl)hexanamide;ethyl 4-[5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]benzoate has a molecular weight of 1964.39 g/mol, XLogP of 21.08, 44 rotatable bonds, 11 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-3-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-cyclohexyl-N-hydroxyhexanamide;(3R)-6-cyclohexyl-N-hydroxy-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]hexanamide;(3R)-6-cyclohexyl-N-hydroxy-3-[3-[3-(methylamino)pyrazin-2-yl]-1,2,4-oxadiazol-5-yl]hexanamide;(3R)-6-cyclohexyl-N-hydroxy-3-(3-phenyl-1,2,4-oxadiazol-5-yl)hexanamide;ethyl 4-[5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]benzoate is sourced from PubChem (CID 158243138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).