2-[[3-(difluoromethoxy)phenoxy]carbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[[3-(difluoromethoxy)phenoxy]carbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[(3-ethoxyphenoxy)carbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[[4-fluoro-3-(trifluoromethyl)phenoxy]carbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-(3-propan-2-ylphenoxy)carbonylamino]acetic acid

C148H138F8N10O33 — CID 157449292

About 2-[[3-(difluoromethoxy)phenoxy]carbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[[3-(difluoromethoxy)phenoxy]carbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[(3-ethoxyphenoxy)carbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[[4-fluoro-3-(trifluoromethyl)phenoxy]carbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-(3-propan-2-ylphenoxy)carbonylamino]acetic acid

2-[[3-(difluoromethoxy)phenoxy]carbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[[3-(difluoromethoxy)phenoxy]carbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[(3-ethoxyphenoxy)carbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[[4-fluoro-3-(trifluoromethyl)phenoxy]carbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-(3-propan-2-ylphenoxy)carbonylamino]acetic acid (PubChem CID 157449292) has the molecular formula C148H138F8N10O33 and a molecular weight of 2736.75 g/mol. Its IUPAC name is 2-[[3-(difluoromethoxy)phenoxy]carbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[[3-(difluoromethoxy)phenoxy]carbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[(3-ethoxyphenoxy)carbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[[4-fluoro-3-(trifluoromethyl)phenoxy]carbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-(3-propan-2-ylphenoxy)carbonylamino]acetic acid.

Molecular Properties

• Compound Name: 2-[[3-(difluoromethoxy)phenoxy]carbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[[3-(difluoromethoxy)phenoxy]carbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[(3-ethoxyphenoxy)carbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[[4-fluoro-3-(trifluoromethyl)phenoxy]carbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-(3-propan-2-ylphenoxy)carbonylamino]acetic acid
• PubChem CID: 157449292
• Molecular Formula: C148H138F8N10O33
• Molecular Weight: 2736.75 g/mol
• Exact Mass: 2734.93
• IUPAC Name: 2-[[3-(difluoromethoxy)phenoxy]carbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[[3-(difluoromethoxy)phenoxy]carbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[(3-ethoxyphenoxy)carbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[[4-fluoro-3-(trifluoromethyl)phenoxy]carbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-(3-propan-2-ylphenoxy)carbonylamino]acetic acid
• SMILES: CCOc1cccc(OC(=O)N(CC(=O)O)Cc2cccc(OCCc3nc(-c4ccccc4)oc3C)c2)c1.Cc1oc(-c2ccccc2)nc1CCOc1ccc(CN(CC(=O)O)C(=O)Oc2ccc(F)c(C(F)(F)F)c2)cc1.Cc1oc(-c2ccccc2)nc1CCOc1ccc(CN(CC(=O)O)C(=O)Oc2cccc(C(C)C)c2)cc1.Cc1oc(-c2ccccc2)nc1CCOc1ccc(CN(CC(=O)O)C(=O)Oc2cccc(OC(F)F)c2)cc1.Cc1oc(-c2ccccc2)nc1CCOc1cccc(CN(CC(=O)O)C(=O)Oc2cccc(OC(F)F)c2)c1
• InChI: InChI=1S/C31H32N2O6.C30H30N2O7.C29H24F4N2O6.2C29H26F2N2O7/c1-21(2)25-10-7-11-27(18-25)39-31(36)33(20-29(34)35)19-23-12-14-26(15-13-23)37-17-16-28-22(3)38-30(32-28)24-8-5-4-6-9-24;1-3-36-25-13-8-14-26(18-25)39-30(35)32(20-28(33)34)19-22-9-7-12-24(17-22)37-16-15-27-21(2)38-29(31-27)23-10-5-4-6-11-23;1-18-25(34-27(40-18)20-5-3-2-4-6-20)13-14-39-21-9-7-19(8-10-21)16-35(17-26(36)37)28(38)41-22-11-12-24(30)23(15-22)29(31,32)33;1-19-25(32-27(38-19)21-8-3-2-4-9-21)13-14-37-22-10-5-7-20(15-22)17-33(18-26(34)35)29(36)40-24-12-6-11-23(16-24)39-28(30)31;1-19-25(32-27(38-19)21-6-3-2-4-7-21)14-15-37-22-12-10-20(11-13-22)17-33(18-26(34)35)29(36)40-24-9-5-8-23(16-24)39-28(30)31/h4-15,18,21H,16-17,19-20H2,1-3H3,(H,34,35);4-14,17-18H,3,15-16,19-20H2,1-2H3,(H,33,34);2-12,15H,13-14,16-17H2,1H3,(H,36,37);2-12,15-16,28H,13-14,17-18H2,1H3,(H,34,35);2-13,16,28H,14-15,17-18H2,1H3,(H,34,35)
• InChIKey: BSPNEFCNHSEFNS-UHFFFAOYSA-N
• XLogP: 30.67
• TPSA: 538.19 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 33
• Rotatable Bonds: 57
• Heavy Atoms: 199
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2736.75
LogP ≤ 5	30.67
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(difluoromethoxy)phenoxy]carbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[[3-(difluoromethoxy)phenoxy]carbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[(3-ethoxyphenoxy)carbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[[4-fluoro-3-(trifluoromethyl)phenoxy]carbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-(3-propan-2-ylphenoxy)carbonylamino]acetic acid?

The IUPAC name of 2-[[3-(difluoromethoxy)phenoxy]carbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[[3-(difluoromethoxy)phenoxy]carbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[(3-ethoxyphenoxy)carbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[[4-fluoro-3-(trifluoromethyl)phenoxy]carbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-(3-propan-2-ylphenoxy)carbonylamino]acetic acid (CID 157449292) is 2-[[3-(difluoromethoxy)phenoxy]carbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[[3-(difluoromethoxy)phenoxy]carbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[(3-ethoxyphenoxy)carbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[[4-fluoro-3-(trifluoromethyl)phenoxy]carbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-(3-propan-2-ylphenoxy)carbonylamino]acetic acid.

What is the SMILES notation for 2-[[3-(difluoromethoxy)phenoxy]carbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[[3-(difluoromethoxy)phenoxy]carbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[(3-ethoxyphenoxy)carbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[[4-fluoro-3-(trifluoromethyl)phenoxy]carbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-(3-propan-2-ylphenoxy)carbonylamino]acetic acid?

The canonical SMILES for 2-[[3-(difluoromethoxy)phenoxy]carbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[[3-(difluoromethoxy)phenoxy]carbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[(3-ethoxyphenoxy)carbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[[4-fluoro-3-(trifluoromethyl)phenoxy]carbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-(3-propan-2-ylphenoxy)carbonylamino]acetic acid is CCOc1cccc(OC(=O)N(CC(=O)O)Cc2cccc(OCCc3nc(-c4ccccc4)oc3C)c2)c1.Cc1oc(-c2ccccc2)nc1CCOc1ccc(CN(CC(=O)O)C(=O)Oc2ccc(F)c(C(F)(F)F)c2)cc1.Cc1oc(-c2ccccc2)nc1CCOc1ccc(CN(CC(=O)O)C(=O)Oc2cccc(C(C)C)c2)cc1.Cc1oc(-c2ccccc2)nc1CCOc1ccc(CN(CC(=O)O)C(=O)Oc2cccc(OC(F)F)c2)cc1.Cc1oc(-c2ccccc2)nc1CCOc1cccc(CN(CC(=O)O)C(=O)Oc2cccc(OC(F)F)c2)c1.

What is the InChIKey of 2-[[3-(difluoromethoxy)phenoxy]carbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[[3-(difluoromethoxy)phenoxy]carbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[(3-ethoxyphenoxy)carbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[[4-fluoro-3-(trifluoromethyl)phenoxy]carbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-(3-propan-2-ylphenoxy)carbonylamino]acetic acid?

The InChIKey is BSPNEFCNHSEFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N2O6.C30H30N2O7.C29H24F4N2O6.2C29H26F2N2O7/c1-21(2)25-10-7-11-27(18-25)39-31(36)33(20-29(34)35)19-23-12-14-26(15-13-23)37-17-16-28-22(3)38-30(32-28)24-8-5-4-6-9-24;1-3-36-25-13-8-14-26(18-25)39-30(35)32(20-28(33)34)19-22-9-7-12-24(17-22)37-16-15-27-21(2)38-29(31-27)23-10-5-4-6-11-23;1-18-25(34-27(40-18)20-5-3-2-4-6-20)13-14-39-21-9-7-19(8-10-21)16-35(17-26(36)37)28(38)41-22-11-12-24(30)23(15-22)29(31,32)33;1-19-25(32-27(38-19)21-8-3-2-4-9-21)13-14-37-22-10-5-7-20(15-22)17-33(18-26(34)35)29(36)40-24-12-6-11-23(16-24)39-28(30)31;1-19-25(32-27(38-19)21-6-3-2-4-7-21)14-15-37-22-12-10-20(11-13-22)17-33(18-26(34)35)29(36)40-24-9-5-8-23(16-24)39-28(30)31/h4-15,18,21H,16-17,19-20H2,1-3H3,(H,34,35);4-14,17-18H,3,15-16,19-20H2,1-2H3,(H,33,34);2-12,15H,13-14,16-17H2,1H3,(H,36,37);2-12,15-16,28H,13-14,17-18H2,1H3,(H,34,35);2-13,16,28H,14-15,17-18H2,1H3,(H,34,35).

What are the key properties of 2-[[3-(difluoromethoxy)phenoxy]carbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[[3-(difluoromethoxy)phenoxy]carbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[(3-ethoxyphenoxy)carbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[[4-fluoro-3-(trifluoromethyl)phenoxy]carbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-(3-propan-2-ylphenoxy)carbonylamino]acetic acid?

2-[[3-(difluoromethoxy)phenoxy]carbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[[3-(difluoromethoxy)phenoxy]carbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[(3-ethoxyphenoxy)carbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[[4-fluoro-3-(trifluoromethyl)phenoxy]carbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-(3-propan-2-ylphenoxy)carbonylamino]acetic acid has a molecular weight of 2736.75 g/mol, XLogP of 30.67, 57 rotatable bonds, 5 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[3-(difluoromethoxy)phenoxy]carbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[[3-(difluoromethoxy)phenoxy]carbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[(3-ethoxyphenoxy)carbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[[4-fluoro-3-(trifluoromethyl)phenoxy]carbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-(3-propan-2-ylphenoxy)carbonylamino]acetic acid is sourced from PubChem (CID 157449292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).