6-[2-[[2-deuteriopropan-2-yl-[2-fluoro-4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[2-deuteriopropan-2-yl-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[2-deuteriopropan-2-yl-[1-(furan-2-yl)piperidine-4-carbonyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[[1-(furan-2-yl)piperidine-4-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid

C127H158FN9O27 — CID 161231502

About 6-[2-[[2-deuteriopropan-2-yl-[2-fluoro-4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[2-deuteriopropan-2-yl-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[2-deuteriopropan-2-yl-[1-(furan-2-yl)piperidine-4-carbonyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[[1-(furan-2-yl)piperidine-4-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid

6-[2-[[2-deuteriopropan-2-yl-[2-fluoro-4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[2-deuteriopropan-2-yl-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[2-deuteriopropan-2-yl-[1-(furan-2-yl)piperidine-4-carbonyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[[1-(furan-2-yl)piperidine-4-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid (PubChem CID 161231502) has the molecular formula C127H158FN9O27 and a molecular weight of 2268.74 g/mol. Its IUPAC name is 6-[2-[[2-deuteriopropan-2-yl-[2-fluoro-4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[2-deuteriopropan-2-yl-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[2-deuteriopropan-2-yl-[1-(furan-2-yl)piperidine-4-carbonyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[[1-(furan-2-yl)piperidine-4-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid.

Molecular Properties

• Compound Name: 6-[2-[[2-deuteriopropan-2-yl-[2-fluoro-4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[2-deuteriopropan-2-yl-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[2-deuteriopropan-2-yl-[1-(furan-2-yl)piperidine-4-carbonyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[[1-(furan-2-yl)piperidine-4-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid
• PubChem CID: 161231502
• Molecular Formula: C127H158FN9O27
• Molecular Weight: 2268.74 g/mol
• Exact Mass: 2267.17
• IUPAC Name: 6-[2-[[2-deuteriopropan-2-yl-[2-fluoro-4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[2-deuteriopropan-2-yl-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[2-deuteriopropan-2-yl-[1-(furan-2-yl)piperidine-4-carbonyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[[1-(furan-2-yl)piperidine-4-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid
• SMILES: [2H]C(C)(C)N(Cc1ccccc1OCCCCCC(=O)O)C(=O)C1CCN(c2ccco2)CC1.[2H]C(C)(C)N(Cc1ccccc1OCCCCCC(=O)O)C(=O)c1cc(-c2ccco2)on1.[2H]C(C)(C)N(Cc1ccccc1OCCCCCC(=O)O)C(=O)c1ccc(-c2ccco2)cc1F.[2H]C([2H])(c1ccccc1OCCCCCC(=O)O)N(C(=O)C1CCN(c2ccco2)CC1)C(C)C.[2H]C([2H])(c1ccccc1OCCCCCC(=O)O)N(C(=O)c1cc(-c2ccco2)on1)C(C)C
• InChI: InChI=1S/C27H30FNO5.2C26H36N2O5.2C24H28N2O6/c1-19(2)29(27(32)22-14-13-20(17-23(22)28)24-11-8-16-34-24)18-21-9-5-6-10-25(21)33-15-7-3-4-12-26(30)31;2*1-20(2)28(26(31)21-13-15-27(16-14-21)24-11-8-18-33-24)19-22-9-5-6-10-23(22)32-17-7-3-4-12-25(29)30;2*1-17(2)26(24(29)19-15-22(32-25-19)21-11-8-14-31-21)16-18-9-5-6-10-20(18)30-13-7-3-4-12-23(27)28/h5-6,8-11,13-14,16-17,19H,3-4,7,12,15,18H2,1-2H3,(H,30,31);2*5-6,8-11,18,20-21H,3-4,7,12-17,19H2,1-2H3,(H,29,30);2*5-6,8-11,14-15,17H,3-4,7,12-13,16H2,1-2H3,(H,27,28)/i19D;20D;19D2;17D;16D2
• InChIKey: UYUQPXNCLSASFE-ATSFCZKSSA-N
• XLogP: 26.09
• TPSA: 458.44 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 26
• Rotatable Bonds: 60
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2268.74
LogP ≤ 5	26.09
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[2-[[2-deuteriopropan-2-yl-[2-fluoro-4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[2-deuteriopropan-2-yl-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[2-deuteriopropan-2-yl-[1-(furan-2-yl)piperidine-4-carbonyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[[1-(furan-2-yl)piperidine-4-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid?

The IUPAC name of 6-[2-[[2-deuteriopropan-2-yl-[2-fluoro-4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[2-deuteriopropan-2-yl-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[2-deuteriopropan-2-yl-[1-(furan-2-yl)piperidine-4-carbonyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[[1-(furan-2-yl)piperidine-4-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid (CID 161231502) is 6-[2-[[2-deuteriopropan-2-yl-[2-fluoro-4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[2-deuteriopropan-2-yl-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[2-deuteriopropan-2-yl-[1-(furan-2-yl)piperidine-4-carbonyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[[1-(furan-2-yl)piperidine-4-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid.

What is the SMILES notation for 6-[2-[[2-deuteriopropan-2-yl-[2-fluoro-4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[2-deuteriopropan-2-yl-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[2-deuteriopropan-2-yl-[1-(furan-2-yl)piperidine-4-carbonyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[[1-(furan-2-yl)piperidine-4-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid?

The canonical SMILES for 6-[2-[[2-deuteriopropan-2-yl-[2-fluoro-4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[2-deuteriopropan-2-yl-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[2-deuteriopropan-2-yl-[1-(furan-2-yl)piperidine-4-carbonyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[[1-(furan-2-yl)piperidine-4-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid is [2H]C(C)(C)N(Cc1ccccc1OCCCCCC(=O)O)C(=O)C1CCN(c2ccco2)CC1.[2H]C(C)(C)N(Cc1ccccc1OCCCCCC(=O)O)C(=O)c1cc(-c2ccco2)on1.[2H]C(C)(C)N(Cc1ccccc1OCCCCCC(=O)O)C(=O)c1ccc(-c2ccco2)cc1F.[2H]C([2H])(c1ccccc1OCCCCCC(=O)O)N(C(=O)C1CCN(c2ccco2)CC1)C(C)C.[2H]C([2H])(c1ccccc1OCCCCCC(=O)O)N(C(=O)c1cc(-c2ccco2)on1)C(C)C.

What is the InChIKey of 6-[2-[[2-deuteriopropan-2-yl-[2-fluoro-4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[2-deuteriopropan-2-yl-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[2-deuteriopropan-2-yl-[1-(furan-2-yl)piperidine-4-carbonyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[[1-(furan-2-yl)piperidine-4-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid?

The InChIKey is UYUQPXNCLSASFE-ATSFCZKSSA-N. The full InChI is InChI=1S/C27H30FNO5.2C26H36N2O5.2C24H28N2O6/c1-19(2)29(27(32)22-14-13-20(17-23(22)28)24-11-8-16-34-24)18-21-9-5-6-10-25(21)33-15-7-3-4-12-26(30)31;2*1-20(2)28(26(31)21-13-15-27(16-14-21)24-11-8-18-33-24)19-22-9-5-6-10-23(22)32-17-7-3-4-12-25(29)30;2*1-17(2)26(24(29)19-15-22(32-25-19)21-11-8-14-31-21)16-18-9-5-6-10-20(18)30-13-7-3-4-12-23(27)28/h5-6,8-11,13-14,16-17,19H,3-4,7,12,15,18H2,1-2H3,(H,30,31);2*5-6,8-11,18,20-21H,3-4,7,12-17,19H2,1-2H3,(H,29,30);2*5-6,8-11,14-15,17H,3-4,7,12-13,16H2,1-2H3,(H,27,28)/i19D;20D;19D2;17D;16D2.

What are the key properties of 6-[2-[[2-deuteriopropan-2-yl-[2-fluoro-4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[2-deuteriopropan-2-yl-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[2-deuteriopropan-2-yl-[1-(furan-2-yl)piperidine-4-carbonyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[[1-(furan-2-yl)piperidine-4-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid?

6-[2-[[2-deuteriopropan-2-yl-[2-fluoro-4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[2-deuteriopropan-2-yl-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[2-deuteriopropan-2-yl-[1-(furan-2-yl)piperidine-4-carbonyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[[1-(furan-2-yl)piperidine-4-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid has a molecular weight of 2268.74 g/mol, XLogP of 26.09, 60 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-[[2-deuteriopropan-2-yl-[2-fluoro-4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[2-deuteriopropan-2-yl-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[2-deuteriopropan-2-yl-[1-(furan-2-yl)piperidine-4-carbonyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[[1-(furan-2-yl)piperidine-4-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid is sourced from PubChem (CID 161231502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).