5-[2-[2-[[2-deuteriopropan-2-yl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]ethyl]-1,2-oxazole-3-carboxylic acid;7-[2-[[2-deuteriopropan-2-yl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]heptanoic acid;2-[3-[2-[[2-deuteriopropan-2-yl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]propoxy]acetic acid;5-[2-[2-[dideuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]ethyl]-1,2-oxazole-3-carboxylic acid;2-[3-[2-[dideuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]propoxy]acetic acid

C134H143N7O29 — CID 159930919

About 5-[2-[2-[[2-deuteriopropan-2-yl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]ethyl]-1,2-oxazole-3-carboxylic acid;7-[2-[[2-deuteriopropan-2-yl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]heptanoic acid;2-[3-[2-[[2-deuteriopropan-2-yl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]propoxy]acetic acid;5-[2-[2-[dideuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]ethyl]-1,2-oxazole-3-carboxylic acid;2-[3-[2-[dideuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]propoxy]acetic acid

5-[2-[2-[[2-deuteriopropan-2-yl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]ethyl]-1,2-oxazole-3-carboxylic acid;7-[2-[[2-deuteriopropan-2-yl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]heptanoic acid;2-[3-[2-[[2-deuteriopropan-2-yl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]propoxy]acetic acid;5-[2-[2-[dideuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]ethyl]-1,2-oxazole-3-carboxylic acid;2-[3-[2-[dideuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]propoxy]acetic acid (PubChem CID 159930919) has the molecular formula C134H143N7O29 and a molecular weight of 2322.68 g/mol. Its IUPAC name is 5-[2-[2-[[2-deuteriopropan-2-yl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]ethyl]-1,2-oxazole-3-carboxylic acid;7-[2-[[2-deuteriopropan-2-yl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]heptanoic acid;2-[3-[2-[[2-deuteriopropan-2-yl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]propoxy]acetic acid;5-[2-[2-[dideuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]ethyl]-1,2-oxazole-3-carboxylic acid;2-[3-[2-[dideuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]propoxy]acetic acid.

Molecular Properties

• Compound Name: 5-[2-[2-[[2-deuteriopropan-2-yl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]ethyl]-1,2-oxazole-3-carboxylic acid;7-[2-[[2-deuteriopropan-2-yl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]heptanoic acid;2-[3-[2-[[2-deuteriopropan-2-yl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]propoxy]acetic acid;5-[2-[2-[dideuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]ethyl]-1,2-oxazole-3-carboxylic acid;2-[3-[2-[dideuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]propoxy]acetic acid
• PubChem CID: 159930919
• Molecular Formula: C134H143N7O29
• Molecular Weight: 2322.68 g/mol
• Exact Mass: 2321.04
• IUPAC Name: 5-[2-[2-[[2-deuteriopropan-2-yl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]ethyl]-1,2-oxazole-3-carboxylic acid;7-[2-[[2-deuteriopropan-2-yl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]heptanoic acid;2-[3-[2-[[2-deuteriopropan-2-yl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]propoxy]acetic acid;5-[2-[2-[dideuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]ethyl]-1,2-oxazole-3-carboxylic acid;2-[3-[2-[dideuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]propoxy]acetic acid
• SMILES: [2H]C(C)(C)N(Cc1ccccc1OCCCCCCC(=O)O)C(=O)c1ccc(-c2ccco2)cc1.[2H]C(C)(C)N(Cc1ccccc1OCCCOCC(=O)O)C(=O)c1ccc(-c2ccco2)cc1.[2H]C(C)(C)N(Cc1ccccc1OCCc1cc(C(=O)O)no1)C(=O)c1ccc(-c2ccco2)cc1.[2H]C([2H])(c1ccccc1OCCCOCC(=O)O)N(C(=O)c1ccc(-c2ccco2)cc1)C(C)C.[2H]C([2H])(c1ccccc1OCCc1cc(C(=O)O)no1)N(C(=O)c1ccc(-c2ccco2)cc1)C(C)C
• InChI: InChI=1S/C28H33NO5.2C27H26N2O6.2C26H29NO6/c1-21(2)29(28(32)23-16-14-22(15-17-23)25-12-9-19-34-25)20-24-10-6-7-11-26(24)33-18-8-4-3-5-13-27(30)31;2*1-18(2)29(26(30)20-11-9-19(10-12-20)24-8-5-14-33-24)17-21-6-3-4-7-25(21)34-15-13-22-16-23(27(31)32)28-35-22;2*1-19(2)27(26(30)21-12-10-20(11-13-21)23-9-5-15-32-23)17-22-7-3-4-8-24(22)33-16-6-14-31-18-25(28)29/h6-7,9-12,14-17,19,21H,3-5,8,13,18,20H2,1-2H3,(H,30,31);2*3-12,14,16,18H,13,15,17H2,1-2H3,(H,31,32);2*3-5,7-13,15,19H,6,14,16-18H2,1-2H3,(H,28,29)/i21D;18D;17D2;19D;17D2
• InChIKey: NZPYBEJYHVHNHB-KNAWNATLSA-N
• XLogP: 26.76
• TPSA: 470.42 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 26
• Rotatable Bonds: 57
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2322.68
LogP ≤ 5	26.76
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 5-[2-[2-[[2-deuteriopropan-2-yl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]ethyl]-1,2-oxazole-3-carboxylic acid;7-[2-[[2-deuteriopropan-2-yl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]heptanoic acid;2-[3-[2-[[2-deuteriopropan-2-yl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]propoxy]acetic acid;5-[2-[2-[dideuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]ethyl]-1,2-oxazole-3-carboxylic acid;2-[3-[2-[dideuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]propoxy]acetic acid?

The IUPAC name of 5-[2-[2-[[2-deuteriopropan-2-yl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]ethyl]-1,2-oxazole-3-carboxylic acid;7-[2-[[2-deuteriopropan-2-yl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]heptanoic acid;2-[3-[2-[[2-deuteriopropan-2-yl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]propoxy]acetic acid;5-[2-[2-[dideuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]ethyl]-1,2-oxazole-3-carboxylic acid;2-[3-[2-[dideuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]propoxy]acetic acid (CID 159930919) is 5-[2-[2-[[2-deuteriopropan-2-yl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]ethyl]-1,2-oxazole-3-carboxylic acid;7-[2-[[2-deuteriopropan-2-yl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]heptanoic acid;2-[3-[2-[[2-deuteriopropan-2-yl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]propoxy]acetic acid;5-[2-[2-[dideuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]ethyl]-1,2-oxazole-3-carboxylic acid;2-[3-[2-[dideuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]propoxy]acetic acid.

What is the SMILES notation for 5-[2-[2-[[2-deuteriopropan-2-yl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]ethyl]-1,2-oxazole-3-carboxylic acid;7-[2-[[2-deuteriopropan-2-yl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]heptanoic acid;2-[3-[2-[[2-deuteriopropan-2-yl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]propoxy]acetic acid;5-[2-[2-[dideuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]ethyl]-1,2-oxazole-3-carboxylic acid;2-[3-[2-[dideuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]propoxy]acetic acid?

The canonical SMILES for 5-[2-[2-[[2-deuteriopropan-2-yl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]ethyl]-1,2-oxazole-3-carboxylic acid;7-[2-[[2-deuteriopropan-2-yl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]heptanoic acid;2-[3-[2-[[2-deuteriopropan-2-yl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]propoxy]acetic acid;5-[2-[2-[dideuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]ethyl]-1,2-oxazole-3-carboxylic acid;2-[3-[2-[dideuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]propoxy]acetic acid is [2H]C(C)(C)N(Cc1ccccc1OCCCCCCC(=O)O)C(=O)c1ccc(-c2ccco2)cc1.[2H]C(C)(C)N(Cc1ccccc1OCCCOCC(=O)O)C(=O)c1ccc(-c2ccco2)cc1.[2H]C(C)(C)N(Cc1ccccc1OCCc1cc(C(=O)O)no1)C(=O)c1ccc(-c2ccco2)cc1.[2H]C([2H])(c1ccccc1OCCCOCC(=O)O)N(C(=O)c1ccc(-c2ccco2)cc1)C(C)C.[2H]C([2H])(c1ccccc1OCCc1cc(C(=O)O)no1)N(C(=O)c1ccc(-c2ccco2)cc1)C(C)C.

What is the InChIKey of 5-[2-[2-[[2-deuteriopropan-2-yl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]ethyl]-1,2-oxazole-3-carboxylic acid;7-[2-[[2-deuteriopropan-2-yl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]heptanoic acid;2-[3-[2-[[2-deuteriopropan-2-yl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]propoxy]acetic acid;5-[2-[2-[dideuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]ethyl]-1,2-oxazole-3-carboxylic acid;2-[3-[2-[dideuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]propoxy]acetic acid?

The InChIKey is NZPYBEJYHVHNHB-KNAWNATLSA-N. The full InChI is InChI=1S/C28H33NO5.2C27H26N2O6.2C26H29NO6/c1-21(2)29(28(32)23-16-14-22(15-17-23)25-12-9-19-34-25)20-24-10-6-7-11-26(24)33-18-8-4-3-5-13-27(30)31;2*1-18(2)29(26(30)20-11-9-19(10-12-20)24-8-5-14-33-24)17-21-6-3-4-7-25(21)34-15-13-22-16-23(27(31)32)28-35-22;2*1-19(2)27(26(30)21-12-10-20(11-13-21)23-9-5-15-32-23)17-22-7-3-4-8-24(22)33-16-6-14-31-18-25(28)29/h6-7,9-12,14-17,19,21H,3-5,8,13,18,20H2,1-2H3,(H,30,31);2*3-12,14,16,18H,13,15,17H2,1-2H3,(H,31,32);2*3-5,7-13,15,19H,6,14,16-18H2,1-2H3,(H,28,29)/i21D;18D;17D2;19D;17D2.

What are the key properties of 5-[2-[2-[[2-deuteriopropan-2-yl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]ethyl]-1,2-oxazole-3-carboxylic acid;7-[2-[[2-deuteriopropan-2-yl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]heptanoic acid;2-[3-[2-[[2-deuteriopropan-2-yl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]propoxy]acetic acid;5-[2-[2-[dideuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]ethyl]-1,2-oxazole-3-carboxylic acid;2-[3-[2-[dideuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]propoxy]acetic acid?

5-[2-[2-[[2-deuteriopropan-2-yl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]ethyl]-1,2-oxazole-3-carboxylic acid;7-[2-[[2-deuteriopropan-2-yl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]heptanoic acid;2-[3-[2-[[2-deuteriopropan-2-yl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]propoxy]acetic acid;5-[2-[2-[dideuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]ethyl]-1,2-oxazole-3-carboxylic acid;2-[3-[2-[dideuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]propoxy]acetic acid has a molecular weight of 2322.68 g/mol, XLogP of 26.76, 57 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[2-[[2-deuteriopropan-2-yl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]ethyl]-1,2-oxazole-3-carboxylic acid;7-[2-[[2-deuteriopropan-2-yl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]heptanoic acid;2-[3-[2-[[2-deuteriopropan-2-yl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]propoxy]acetic acid;5-[2-[2-[dideuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]ethyl]-1,2-oxazole-3-carboxylic acid;2-[3-[2-[dideuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]propoxy]acetic acid is sourced from PubChem (CID 159930919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).