2-[[4-[2-[2-(4-formylphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]phenyl]methyl-(4-methylphenoxy)carbonylamino]acetic acid;2-[(3-methoxyphenoxy)carbonyl-[(1R)-1-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]ethyl]amino]acetic acid;2-[(4-methoxyphenoxy)carbonyl-[(1R)-1-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]ethyl]amino]acetic acid;2-[(4-methoxyphenoxy)carbonyl-[(1S)-1-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]ethyl]amino]acetic acid;2-[(4-methoxyphenoxy)carbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propoxy]phenyl]methyl]amino]acetic acid;2-[(4-methylphenoxy)carbonyl-[(1R)-1-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]ethyl]amino]acetic acid

C176H170N12O41 — CID 157442981

About 2-[[4-[2-[2-(4-formylphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]phenyl]methyl-(4-methylphenoxy)carbonylamino]acetic acid;2-[(3-methoxyphenoxy)carbonyl-[(1R)-1-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]ethyl]amino]acetic acid;2-[(4-methoxyphenoxy)carbonyl-[(1R)-1-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]ethyl]amino]acetic acid;2-[(4-methoxyphenoxy)carbonyl-[(1S)-1-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]ethyl]amino]acetic acid;2-[(4-methoxyphenoxy)carbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propoxy]phenyl]methyl]amino]acetic acid;2-[(4-methylphenoxy)carbonyl-[(1R)-1-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]ethyl]amino]acetic acid

2-[[4-[2-[2-(4-formylphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]phenyl]methyl-(4-methylphenoxy)carbonylamino]acetic acid;2-[(3-methoxyphenoxy)carbonyl-[(1R)-1-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]ethyl]amino]acetic acid;2-[(4-methoxyphenoxy)carbonyl-[(1R)-1-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]ethyl]amino]acetic acid;2-[(4-methoxyphenoxy)carbonyl-[(1S)-1-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]ethyl]amino]acetic acid;2-[(4-methoxyphenoxy)carbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propoxy]phenyl]methyl]amino]acetic acid;2-[(4-methylphenoxy)carbonyl-[(1R)-1-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]ethyl]amino]acetic acid (PubChem CID 157442981) has the molecular formula C176H170N12O41 and a molecular weight of 3109.34 g/mol. Its IUPAC name is 2-[[4-[2-[2-(4-formylphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]phenyl]methyl-(4-methylphenoxy)carbonylamino]acetic acid;2-[(3-methoxyphenoxy)carbonyl-[(1R)-1-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]ethyl]amino]acetic acid;2-[(4-methoxyphenoxy)carbonyl-[(1R)-1-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]ethyl]amino]acetic acid;2-[(4-methoxyphenoxy)carbonyl-[(1S)-1-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]ethyl]amino]acetic acid;2-[(4-methoxyphenoxy)carbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propoxy]phenyl]methyl]amino]acetic acid;2-[(4-methylphenoxy)carbonyl-[(1R)-1-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]ethyl]amino]acetic acid.

Molecular Properties

• Compound Name: 2-[[4-[2-[2-(4-formylphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]phenyl]methyl-(4-methylphenoxy)carbonylamino]acetic acid;2-[(3-methoxyphenoxy)carbonyl-[(1R)-1-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]ethyl]amino]acetic acid;2-[(4-methoxyphenoxy)carbonyl-[(1R)-1-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]ethyl]amino]acetic acid;2-[(4-methoxyphenoxy)carbonyl-[(1S)-1-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]ethyl]amino]acetic acid;2-[(4-methoxyphenoxy)carbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propoxy]phenyl]methyl]amino]acetic acid;2-[(4-methylphenoxy)carbonyl-[(1R)-1-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]ethyl]amino]acetic acid
• PubChem CID: 157442981
• Molecular Formula: C176H170N12O41
• Molecular Weight: 3109.34 g/mol
• Exact Mass: 3107.16
• IUPAC Name: 2-[[4-[2-[2-(4-formylphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]phenyl]methyl-(4-methylphenoxy)carbonylamino]acetic acid;2-[(3-methoxyphenoxy)carbonyl-[(1R)-1-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]ethyl]amino]acetic acid;2-[(4-methoxyphenoxy)carbonyl-[(1R)-1-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]ethyl]amino]acetic acid;2-[(4-methoxyphenoxy)carbonyl-[(1S)-1-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]ethyl]amino]acetic acid;2-[(4-methoxyphenoxy)carbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propoxy]phenyl]methyl]amino]acetic acid;2-[(4-methylphenoxy)carbonyl-[(1R)-1-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]ethyl]amino]acetic acid
• SMILES: COc1ccc(OC(=O)N(CC(=O)O)Cc2ccc(OCC(C)c3nc(-c4ccccc4)oc3C)cc2)cc1.COc1ccc(OC(=O)N(CC(=O)O)[C@@H](C)c2ccc(OCc3nc(-c4ccccc4)oc3C)cc2)cc1.COc1ccc(OC(=O)N(CC(=O)O)[C@H](C)c2ccc(OCc3nc(-c4ccccc4)oc3C)cc2)cc1.COc1cccc(OC(=O)N(CC(=O)O)[C@H](C)c2ccc(OCc3nc(-c4ccccc4)oc3C)cc2)c1.Cc1ccc(OC(=O)N(CC(=O)O)Cc2ccc(OCCc3nc(-c4ccc(C=O)cc4)oc3C)cc2)cc1.Cc1ccc(OC(=O)N(CC(=O)O)[C@H](C)c2ccc(OCc3nc(-c4ccccc4)oc3C)cc2)cc1
• InChI: InChI=1S/C30H28N2O7.C30H30N2O7.3C29H28N2O7.C29H28N2O6/c1-20-3-11-26(12-4-20)39-30(36)32(18-28(34)35)17-22-7-13-25(14-8-22)37-16-15-27-21(2)38-29(31-27)24-9-5-23(19-33)6-10-24;1-20(28-21(2)38-29(31-28)23-7-5-4-6-8-23)19-37-25-11-9-22(10-12-25)17-32(18-27(33)34)30(35)39-26-15-13-24(36-3)14-16-26;1-19(31(17-27(32)33)29(34)38-25-11-7-10-24(16-25)35-3)21-12-14-23(15-13-21)36-18-26-20(2)37-28(30-26)22-8-5-4-6-9-22;2*1-19(31(17-27(32)33)29(34)38-25-15-13-23(35-3)14-16-25)21-9-11-24(12-10-21)36-18-26-20(2)37-28(30-26)22-7-5-4-6-8-22;1-19-9-13-25(14-10-19)37-29(34)31(17-27(32)33)20(2)22-11-15-24(16-12-22)35-18-26-21(3)36-28(30-26)23-7-5-4-6-8-23/h3-14,19H,15-18H2,1-2H3,(H,34,35);4-16,20H,17-19H2,1-3H3,(H,33,34);3*4-16,19H,17-18H2,1-3H3,(H,32,33);4-16,20H,17-18H2,1-3H3,(H,32,33)/t;;3*19-;20-/m..1101/s1
• InChIKey: BRWSCTMJDFYZMV-YOQDICCZSA-N
• XLogP: 35.24
• TPSA: 666.59 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 41
• Rotatable Bonds: 61
• Heavy Atoms: 229
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3109.34
LogP ≤ 5	35.24
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[2-[2-(4-formylphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]phenyl]methyl-(4-methylphenoxy)carbonylamino]acetic acid;2-[(3-methoxyphenoxy)carbonyl-[(1R)-1-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]ethyl]amino]acetic acid;2-[(4-methoxyphenoxy)carbonyl-[(1R)-1-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]ethyl]amino]acetic acid;2-[(4-methoxyphenoxy)carbonyl-[(1S)-1-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]ethyl]amino]acetic acid;2-[(4-methoxyphenoxy)carbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propoxy]phenyl]methyl]amino]acetic acid;2-[(4-methylphenoxy)carbonyl-[(1R)-1-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]ethyl]amino]acetic acid?

The IUPAC name of 2-[[4-[2-[2-(4-formylphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]phenyl]methyl-(4-methylphenoxy)carbonylamino]acetic acid;2-[(3-methoxyphenoxy)carbonyl-[(1R)-1-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]ethyl]amino]acetic acid;2-[(4-methoxyphenoxy)carbonyl-[(1R)-1-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]ethyl]amino]acetic acid;2-[(4-methoxyphenoxy)carbonyl-[(1S)-1-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]ethyl]amino]acetic acid;2-[(4-methoxyphenoxy)carbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propoxy]phenyl]methyl]amino]acetic acid;2-[(4-methylphenoxy)carbonyl-[(1R)-1-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]ethyl]amino]acetic acid (CID 157442981) is 2-[[4-[2-[2-(4-formylphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]phenyl]methyl-(4-methylphenoxy)carbonylamino]acetic acid;2-[(3-methoxyphenoxy)carbonyl-[(1R)-1-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]ethyl]amino]acetic acid;2-[(4-methoxyphenoxy)carbonyl-[(1R)-1-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]ethyl]amino]acetic acid;2-[(4-methoxyphenoxy)carbonyl-[(1S)-1-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]ethyl]amino]acetic acid;2-[(4-methoxyphenoxy)carbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propoxy]phenyl]methyl]amino]acetic acid;2-[(4-methylphenoxy)carbonyl-[(1R)-1-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]ethyl]amino]acetic acid.

What is the SMILES notation for 2-[[4-[2-[2-(4-formylphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]phenyl]methyl-(4-methylphenoxy)carbonylamino]acetic acid;2-[(3-methoxyphenoxy)carbonyl-[(1R)-1-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]ethyl]amino]acetic acid;2-[(4-methoxyphenoxy)carbonyl-[(1R)-1-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]ethyl]amino]acetic acid;2-[(4-methoxyphenoxy)carbonyl-[(1S)-1-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]ethyl]amino]acetic acid;2-[(4-methoxyphenoxy)carbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propoxy]phenyl]methyl]amino]acetic acid;2-[(4-methylphenoxy)carbonyl-[(1R)-1-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]ethyl]amino]acetic acid?

The canonical SMILES for 2-[[4-[2-[2-(4-formylphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]phenyl]methyl-(4-methylphenoxy)carbonylamino]acetic acid;2-[(3-methoxyphenoxy)carbonyl-[(1R)-1-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]ethyl]amino]acetic acid;2-[(4-methoxyphenoxy)carbonyl-[(1R)-1-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]ethyl]amino]acetic acid;2-[(4-methoxyphenoxy)carbonyl-[(1S)-1-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]ethyl]amino]acetic acid;2-[(4-methoxyphenoxy)carbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propoxy]phenyl]methyl]amino]acetic acid;2-[(4-methylphenoxy)carbonyl-[(1R)-1-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]ethyl]amino]acetic acid is COc1ccc(OC(=O)N(CC(=O)O)Cc2ccc(OCC(C)c3nc(-c4ccccc4)oc3C)cc2)cc1.COc1ccc(OC(=O)N(CC(=O)O)[C@@H](C)c2ccc(OCc3nc(-c4ccccc4)oc3C)cc2)cc1.COc1ccc(OC(=O)N(CC(=O)O)[C@H](C)c2ccc(OCc3nc(-c4ccccc4)oc3C)cc2)cc1.COc1cccc(OC(=O)N(CC(=O)O)[C@H](C)c2ccc(OCc3nc(-c4ccccc4)oc3C)cc2)c1.Cc1ccc(OC(=O)N(CC(=O)O)Cc2ccc(OCCc3nc(-c4ccc(C=O)cc4)oc3C)cc2)cc1.Cc1ccc(OC(=O)N(CC(=O)O)[C@H](C)c2ccc(OCc3nc(-c4ccccc4)oc3C)cc2)cc1.

What is the InChIKey of 2-[[4-[2-[2-(4-formylphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]phenyl]methyl-(4-methylphenoxy)carbonylamino]acetic acid;2-[(3-methoxyphenoxy)carbonyl-[(1R)-1-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]ethyl]amino]acetic acid;2-[(4-methoxyphenoxy)carbonyl-[(1R)-1-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]ethyl]amino]acetic acid;2-[(4-methoxyphenoxy)carbonyl-[(1S)-1-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]ethyl]amino]acetic acid;2-[(4-methoxyphenoxy)carbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propoxy]phenyl]methyl]amino]acetic acid;2-[(4-methylphenoxy)carbonyl-[(1R)-1-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]ethyl]amino]acetic acid?

The InChIKey is BRWSCTMJDFYZMV-YOQDICCZSA-N. The full InChI is InChI=1S/C30H28N2O7.C30H30N2O7.3C29H28N2O7.C29H28N2O6/c1-20-3-11-26(12-4-20)39-30(36)32(18-28(34)35)17-22-7-13-25(14-8-22)37-16-15-27-21(2)38-29(31-27)24-9-5-23(19-33)6-10-24;1-20(28-21(2)38-29(31-28)23-7-5-4-6-8-23)19-37-25-11-9-22(10-12-25)17-32(18-27(33)34)30(35)39-26-15-13-24(36-3)14-16-26;1-19(31(17-27(32)33)29(34)38-25-11-7-10-24(16-25)35-3)21-12-14-23(15-13-21)36-18-26-20(2)37-28(30-26)22-8-5-4-6-9-22;2*1-19(31(17-27(32)33)29(34)38-25-15-13-23(35-3)14-16-25)21-9-11-24(12-10-21)36-18-26-20(2)37-28(30-26)22-7-5-4-6-8-22;1-19-9-13-25(14-10-19)37-29(34)31(17-27(32)33)20(2)22-11-15-24(16-12-22)35-18-26-21(3)36-28(30-26)23-7-5-4-6-8-23/h3-14,19H,15-18H2,1-2H3,(H,34,35);4-16,20H,17-19H2,1-3H3,(H,33,34);3*4-16,19H,17-18H2,1-3H3,(H,32,33);4-16,20H,17-18H2,1-3H3,(H,32,33)/t;;3*19-;20-/m..1101/s1.

What are the key properties of 2-[[4-[2-[2-(4-formylphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]phenyl]methyl-(4-methylphenoxy)carbonylamino]acetic acid;2-[(3-methoxyphenoxy)carbonyl-[(1R)-1-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]ethyl]amino]acetic acid;2-[(4-methoxyphenoxy)carbonyl-[(1R)-1-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]ethyl]amino]acetic acid;2-[(4-methoxyphenoxy)carbonyl-[(1S)-1-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]ethyl]amino]acetic acid;2-[(4-methoxyphenoxy)carbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propoxy]phenyl]methyl]amino]acetic acid;2-[(4-methylphenoxy)carbonyl-[(1R)-1-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]ethyl]amino]acetic acid?

2-[[4-[2-[2-(4-formylphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]phenyl]methyl-(4-methylphenoxy)carbonylamino]acetic acid;2-[(3-methoxyphenoxy)carbonyl-[(1R)-1-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]ethyl]amino]acetic acid;2-[(4-methoxyphenoxy)carbonyl-[(1R)-1-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]ethyl]amino]acetic acid;2-[(4-methoxyphenoxy)carbonyl-[(1S)-1-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]ethyl]amino]acetic acid;2-[(4-methoxyphenoxy)carbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propoxy]phenyl]methyl]amino]acetic acid;2-[(4-methylphenoxy)carbonyl-[(1R)-1-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]ethyl]amino]acetic acid has a molecular weight of 3109.34 g/mol, XLogP of 35.24, 61 rotatable bonds, 6 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-[2-[2-(4-formylphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]phenyl]methyl-(4-methylphenoxy)carbonylamino]acetic acid;2-[(3-methoxyphenoxy)carbonyl-[(1R)-1-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]ethyl]amino]acetic acid;2-[(4-methoxyphenoxy)carbonyl-[(1R)-1-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]ethyl]amino]acetic acid;2-[(4-methoxyphenoxy)carbonyl-[(1S)-1-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]ethyl]amino]acetic acid;2-[(4-methoxyphenoxy)carbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propoxy]phenyl]methyl]amino]acetic acid;2-[(4-methylphenoxy)carbonyl-[(1R)-1-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]ethyl]amino]acetic acid is sourced from PubChem (CID 157442981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).