2-[(4-chlorophenyl)methoxycarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[2,3-dihydro-1H-inden-5-yloxycarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[(3,4-dimethylphenoxy)carbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[(3-fluoro-4-methylphenoxy)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-[[4-(trifluoromethoxy)phenyl]methoxycarbonyl]amino]acetic acid

C149H141ClF4N10O31 — CID 158123442

About 2-[(4-chlorophenyl)methoxycarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[2,3-dihydro-1H-inden-5-yloxycarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[(3,4-dimethylphenoxy)carbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[(3-fluoro-4-methylphenoxy)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-[[4-(trifluoromethoxy)phenyl]methoxycarbonyl]amino]acetic acid

2-[(4-chlorophenyl)methoxycarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[2,3-dihydro-1H-inden-5-yloxycarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[(3,4-dimethylphenoxy)carbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[(3-fluoro-4-methylphenoxy)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-[[4-(trifluoromethoxy)phenyl]methoxycarbonyl]amino]acetic acid (PubChem CID 158123442) has the molecular formula C149H141ClF4N10O31 and a molecular weight of 2679.25 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methoxycarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[2,3-dihydro-1H-inden-5-yloxycarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[(3,4-dimethylphenoxy)carbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[(3-fluoro-4-methylphenoxy)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-[[4-(trifluoromethoxy)phenyl]methoxycarbonyl]amino]acetic acid.

Molecular Properties

• Compound Name: 2-[(4-chlorophenyl)methoxycarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[2,3-dihydro-1H-inden-5-yloxycarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[(3,4-dimethylphenoxy)carbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[(3-fluoro-4-methylphenoxy)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-[[4-(trifluoromethoxy)phenyl]methoxycarbonyl]amino]acetic acid
• PubChem CID: 158123442
• Molecular Formula: C149H141ClF4N10O31
• Molecular Weight: 2679.25 g/mol
• Exact Mass: 2676.94
• IUPAC Name: 2-[(4-chlorophenyl)methoxycarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[2,3-dihydro-1H-inden-5-yloxycarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[(3,4-dimethylphenoxy)carbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[(3-fluoro-4-methylphenoxy)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-[[4-(trifluoromethoxy)phenyl]methoxycarbonyl]amino]acetic acid
• SMILES: Cc1ccc(OC(=O)N(CC(=O)O)Cc2ccc(OCCc3nc(-c4ccccc4)oc3C)cc2)cc1F.Cc1ccc(OC(=O)N(CC(=O)O)Cc2cccc(OCCc3nc(-c4ccccc4)oc3C)c2)cc1C.Cc1oc(-c2ccccc2)nc1CCOc1ccc(CN(CC(=O)O)C(=O)OCc2ccc(OC(F)(F)F)cc2)cc1.Cc1oc(-c2ccccc2)nc1CCOc1cccc(CN(CC(=O)O)C(=O)OCc2ccc(Cl)cc2)c1.Cc1oc(-c2ccccc2)nc1CCOc1cccc(CN(CC(=O)O)C(=O)Oc2ccc3c(c2)CCC3)c1
• InChI: InChI=1S/C31H30N2O6.C30H27F3N2O7.C30H30N2O6.C29H27ClN2O6.C29H27FN2O6/c1-21-28(32-30(38-21)24-8-3-2-4-9-24)15-16-37-26-12-5-7-22(17-26)19-33(20-29(34)35)31(36)39-27-14-13-23-10-6-11-25(23)18-27;1-20-26(34-28(41-20)23-5-3-2-4-6-23)15-16-39-24-11-7-21(8-12-24)17-35(18-27(36)37)29(38)40-19-22-9-13-25(14-10-22)42-30(31,32)33;1-20-12-13-26(16-21(20)2)38-30(35)32(19-28(33)34)18-23-8-7-11-25(17-23)36-15-14-27-22(3)37-29(31-27)24-9-5-4-6-10-24;1-20-26(31-28(38-20)23-7-3-2-4-8-23)14-15-36-25-9-5-6-22(16-25)17-32(18-27(33)34)29(35)37-19-21-10-12-24(30)13-11-21;1-19-8-11-24(16-25(19)30)38-29(35)32(18-27(33)34)17-21-9-12-23(13-10-21)36-15-14-26-20(2)37-28(31-26)22-6-4-3-5-7-22/h2-5,7-9,12-14,17-18H,6,10-11,15-16,19-20H2,1H3,(H,34,35);2-14H,15-19H2,1H3,(H,36,37);4-13,16-17H,14-15,18-19H2,1-3H3,(H,33,34);2-13,16H,14-15,17-19H2,1H3,(H,33,34);3-13,16H,14-15,17-18H2,1-2H3,(H,33,34)
• InChIKey: FRWKWFBARWUNAT-UHFFFAOYSA-N
• XLogP: 30.17
• TPSA: 519.73 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 31
• Rotatable Bonds: 53
• Heavy Atoms: 195
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2679.25
LogP ≤ 5	30.17
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methoxycarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[2,3-dihydro-1H-inden-5-yloxycarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[(3,4-dimethylphenoxy)carbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[(3-fluoro-4-methylphenoxy)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-[[4-(trifluoromethoxy)phenyl]methoxycarbonyl]amino]acetic acid?

The IUPAC name of 2-[(4-chlorophenyl)methoxycarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[2,3-dihydro-1H-inden-5-yloxycarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[(3,4-dimethylphenoxy)carbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[(3-fluoro-4-methylphenoxy)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-[[4-(trifluoromethoxy)phenyl]methoxycarbonyl]amino]acetic acid (CID 158123442) is 2-[(4-chlorophenyl)methoxycarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[2,3-dihydro-1H-inden-5-yloxycarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[(3,4-dimethylphenoxy)carbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[(3-fluoro-4-methylphenoxy)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-[[4-(trifluoromethoxy)phenyl]methoxycarbonyl]amino]acetic acid.

What is the SMILES notation for 2-[(4-chlorophenyl)methoxycarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[2,3-dihydro-1H-inden-5-yloxycarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[(3,4-dimethylphenoxy)carbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[(3-fluoro-4-methylphenoxy)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-[[4-(trifluoromethoxy)phenyl]methoxycarbonyl]amino]acetic acid?

The canonical SMILES for 2-[(4-chlorophenyl)methoxycarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[2,3-dihydro-1H-inden-5-yloxycarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[(3,4-dimethylphenoxy)carbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[(3-fluoro-4-methylphenoxy)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-[[4-(trifluoromethoxy)phenyl]methoxycarbonyl]amino]acetic acid is Cc1ccc(OC(=O)N(CC(=O)O)Cc2ccc(OCCc3nc(-c4ccccc4)oc3C)cc2)cc1F.Cc1ccc(OC(=O)N(CC(=O)O)Cc2cccc(OCCc3nc(-c4ccccc4)oc3C)c2)cc1C.Cc1oc(-c2ccccc2)nc1CCOc1ccc(CN(CC(=O)O)C(=O)OCc2ccc(OC(F)(F)F)cc2)cc1.Cc1oc(-c2ccccc2)nc1CCOc1cccc(CN(CC(=O)O)C(=O)OCc2ccc(Cl)cc2)c1.Cc1oc(-c2ccccc2)nc1CCOc1cccc(CN(CC(=O)O)C(=O)Oc2ccc3c(c2)CCC3)c1.

What is the InChIKey of 2-[(4-chlorophenyl)methoxycarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[2,3-dihydro-1H-inden-5-yloxycarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[(3,4-dimethylphenoxy)carbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[(3-fluoro-4-methylphenoxy)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-[[4-(trifluoromethoxy)phenyl]methoxycarbonyl]amino]acetic acid?

The InChIKey is FRWKWFBARWUNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30N2O6.C30H27F3N2O7.C30H30N2O6.C29H27ClN2O6.C29H27FN2O6/c1-21-28(32-30(38-21)24-8-3-2-4-9-24)15-16-37-26-12-5-7-22(17-26)19-33(20-29(34)35)31(36)39-27-14-13-23-10-6-11-25(23)18-27;1-20-26(34-28(41-20)23-5-3-2-4-6-23)15-16-39-24-11-7-21(8-12-24)17-35(18-27(36)37)29(38)40-19-22-9-13-25(14-10-22)42-30(31,32)33;1-20-12-13-26(16-21(20)2)38-30(35)32(19-28(33)34)18-23-8-7-11-25(17-23)36-15-14-27-22(3)37-29(31-27)24-9-5-4-6-10-24;1-20-26(31-28(38-20)23-7-3-2-4-8-23)14-15-36-25-9-5-6-22(16-25)17-32(18-27(33)34)29(35)37-19-21-10-12-24(30)13-11-21;1-19-8-11-24(16-25(19)30)38-29(35)32(18-27(33)34)17-21-9-12-23(13-10-21)36-15-14-26-20(2)37-28(31-26)22-6-4-3-5-7-22/h2-5,7-9,12-14,17-18H,6,10-11,15-16,19-20H2,1H3,(H,34,35);2-14H,15-19H2,1H3,(H,36,37);4-13,16-17H,14-15,18-19H2,1-3H3,(H,33,34);2-13,16H,14-15,17-19H2,1H3,(H,33,34);3-13,16H,14-15,17-18H2,1-2H3,(H,33,34).

What are the key properties of 2-[(4-chlorophenyl)methoxycarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[2,3-dihydro-1H-inden-5-yloxycarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[(3,4-dimethylphenoxy)carbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[(3-fluoro-4-methylphenoxy)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-[[4-(trifluoromethoxy)phenyl]methoxycarbonyl]amino]acetic acid?

2-[(4-chlorophenyl)methoxycarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[2,3-dihydro-1H-inden-5-yloxycarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[(3,4-dimethylphenoxy)carbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[(3-fluoro-4-methylphenoxy)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-[[4-(trifluoromethoxy)phenyl]methoxycarbonyl]amino]acetic acid has a molecular weight of 2679.25 g/mol, XLogP of 30.17, 53 rotatable bonds, 5 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4-chlorophenyl)methoxycarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[2,3-dihydro-1H-inden-5-yloxycarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[(3,4-dimethylphenoxy)carbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[(3-fluoro-4-methylphenoxy)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-[[4-(trifluoromethoxy)phenyl]methoxycarbonyl]amino]acetic acid is sourced from PubChem (CID 158123442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).