2-[1,3-benzoxazol-2-yl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[(3-cyclopropylphenoxy)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-methoxyphenoxy)carbonyl-[1-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethyl]amino]acetic acid;2-[[2-(4-methylphenyl)acetyl]-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]amino]acetic acid

C147H140FN11O29 — CID 157281987

About 2-[1,3-benzoxazol-2-yl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[(3-cyclopropylphenoxy)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-methoxyphenoxy)carbonyl-[1-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethyl]amino]acetic acid;2-[[2-(4-methylphenyl)acetyl]-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]amino]acetic acid

2-[1,3-benzoxazol-2-yl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[(3-cyclopropylphenoxy)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-methoxyphenoxy)carbonyl-[1-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethyl]amino]acetic acid;2-[[2-(4-methylphenyl)acetyl]-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]amino]acetic acid (PubChem CID 157281987) has the molecular formula C147H140FN11O29 and a molecular weight of 2543.78 g/mol. Its IUPAC name is 2-[1,3-benzoxazol-2-yl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[(3-cyclopropylphenoxy)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-methoxyphenoxy)carbonyl-[1-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethyl]amino]acetic acid;2-[[2-(4-methylphenyl)acetyl]-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]amino]acetic acid.

Molecular Properties

• Compound Name: 2-[1,3-benzoxazol-2-yl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[(3-cyclopropylphenoxy)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-methoxyphenoxy)carbonyl-[1-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethyl]amino]acetic acid;2-[[2-(4-methylphenyl)acetyl]-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]amino]acetic acid
• PubChem CID: 157281987
• Molecular Formula: C147H140FN11O29
• Molecular Weight: 2543.78 g/mol
• Exact Mass: 2541.98
• IUPAC Name: 2-[1,3-benzoxazol-2-yl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[(3-cyclopropylphenoxy)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-methoxyphenoxy)carbonyl-[1-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethyl]amino]acetic acid;2-[[2-(4-methylphenyl)acetyl]-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]amino]acetic acid
• SMILES: COc1ccc(OC(=O)N(CC(=O)O)C(C)c2ccc(OCCc3nc(-c4ccccc4)oc3C)cc2)cc1.Cc1ccc(CC(=O)N(CC(=O)O)Cc2ccc(OCc3nc(-c4ccccc4)oc3C)cc2)cc1.Cc1ccc(OC(=O)N(CC(=O)O)Cc2ccc(OCCc3nc(-c4ccccc4)oc3C)cc2)cc1F.Cc1oc(-c2ccccc2)nc1CCOc1ccc(CN(CC(=O)O)c2nc3ccccc3o2)cc1.Cc1oc(-c2ccccc2)nc1CCOc1cccc(CN(CC(=O)O)C(=O)Oc2cccc(C3CC3)c2)c1
• InChI: InChI=1S/C31H30N2O6.C30H30N2O7.C29H27FN2O6.C29H28N2O5.C28H25N3O5/c1-21-28(32-30(38-21)24-8-3-2-4-9-24)15-16-37-26-11-5-7-22(17-26)19-33(20-29(34)35)31(36)39-27-12-6-10-25(18-27)23-13-14-23;1-20(32(19-28(33)34)30(35)39-26-15-13-24(36-3)14-16-26)22-9-11-25(12-10-22)37-18-17-27-21(2)38-29(31-27)23-7-5-4-6-8-23;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;1-20-8-10-22(11-9-20)16-27(32)31(18-28(33)34)17-23-12-14-25(15-13-23)35-19-26-21(2)36-29(30-26)24-6-4-3-5-7-24;1-19-23(29-27(35-19)21-7-3-2-4-8-21)15-16-34-22-13-11-20(12-14-22)17-31(18-26(32)33)28-30-24-9-5-6-10-25(24)36-28/h2-12,17-18,23H,13-16,19-20H2,1H3,(H,34,35);4-16,20H,17-19H2,1-3H3,(H,33,34);3-13,16H,14-15,17-18H2,1-2H3,(H,33,34);3-15H,16-19H2,1-2H3,(H,33,34);2-14H,15-18H2,1H3,(H,32,33)
• InChIKey: AZTRTUGZCCOVRJ-UHFFFAOYSA-N
• XLogP: 28.66
• TPSA: 510.23 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 31
• Rotatable Bonds: 52
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2543.78
LogP ≤ 5	28.66
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 2-[1,3-benzoxazol-2-yl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[(3-cyclopropylphenoxy)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-methoxyphenoxy)carbonyl-[1-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethyl]amino]acetic acid;2-[[2-(4-methylphenyl)acetyl]-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]amino]acetic acid?

The IUPAC name of 2-[1,3-benzoxazol-2-yl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[(3-cyclopropylphenoxy)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-methoxyphenoxy)carbonyl-[1-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethyl]amino]acetic acid;2-[[2-(4-methylphenyl)acetyl]-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]amino]acetic acid (CID 157281987) is 2-[1,3-benzoxazol-2-yl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[(3-cyclopropylphenoxy)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-methoxyphenoxy)carbonyl-[1-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethyl]amino]acetic acid;2-[[2-(4-methylphenyl)acetyl]-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]amino]acetic acid.

What is the SMILES notation for 2-[1,3-benzoxazol-2-yl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[(3-cyclopropylphenoxy)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-methoxyphenoxy)carbonyl-[1-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethyl]amino]acetic acid;2-[[2-(4-methylphenyl)acetyl]-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]amino]acetic acid?

The canonical SMILES for 2-[1,3-benzoxazol-2-yl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[(3-cyclopropylphenoxy)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-methoxyphenoxy)carbonyl-[1-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethyl]amino]acetic acid;2-[[2-(4-methylphenyl)acetyl]-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]amino]acetic acid is COc1ccc(OC(=O)N(CC(=O)O)C(C)c2ccc(OCCc3nc(-c4ccccc4)oc3C)cc2)cc1.Cc1ccc(CC(=O)N(CC(=O)O)Cc2ccc(OCc3nc(-c4ccccc4)oc3C)cc2)cc1.Cc1ccc(OC(=O)N(CC(=O)O)Cc2ccc(OCCc3nc(-c4ccccc4)oc3C)cc2)cc1F.Cc1oc(-c2ccccc2)nc1CCOc1ccc(CN(CC(=O)O)c2nc3ccccc3o2)cc1.Cc1oc(-c2ccccc2)nc1CCOc1cccc(CN(CC(=O)O)C(=O)Oc2cccc(C3CC3)c2)c1.

What is the InChIKey of 2-[1,3-benzoxazol-2-yl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[(3-cyclopropylphenoxy)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-methoxyphenoxy)carbonyl-[1-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethyl]amino]acetic acid;2-[[2-(4-methylphenyl)acetyl]-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]amino]acetic acid?

The InChIKey is AZTRTUGZCCOVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30N2O6.C30H30N2O7.C29H27FN2O6.C29H28N2O5.C28H25N3O5/c1-21-28(32-30(38-21)24-8-3-2-4-9-24)15-16-37-26-11-5-7-22(17-26)19-33(20-29(34)35)31(36)39-27-12-6-10-25(18-27)23-13-14-23;1-20(32(19-28(33)34)30(35)39-26-15-13-24(36-3)14-16-26)22-9-11-25(12-10-22)37-18-17-27-21(2)38-29(31-27)23-7-5-4-6-8-23;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;1-20-8-10-22(11-9-20)16-27(32)31(18-28(33)34)17-23-12-14-25(15-13-23)35-19-26-21(2)36-29(30-26)24-6-4-3-5-7-24;1-19-23(29-27(35-19)21-7-3-2-4-8-21)15-16-34-22-13-11-20(12-14-22)17-31(18-26(32)33)28-30-24-9-5-6-10-25(24)36-28/h2-12,17-18,23H,13-16,19-20H2,1H3,(H,34,35);4-16,20H,17-19H2,1-3H3,(H,33,34);3-13,16H,14-15,17-18H2,1-2H3,(H,33,34);3-15H,16-19H2,1-2H3,(H,33,34);2-14H,15-18H2,1H3,(H,32,33).

What are the key properties of 2-[1,3-benzoxazol-2-yl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[(3-cyclopropylphenoxy)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-methoxyphenoxy)carbonyl-[1-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethyl]amino]acetic acid;2-[[2-(4-methylphenyl)acetyl]-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]amino]acetic acid?

2-[1,3-benzoxazol-2-yl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[(3-cyclopropylphenoxy)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-methoxyphenoxy)carbonyl-[1-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethyl]amino]acetic acid;2-[[2-(4-methylphenyl)acetyl]-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]amino]acetic acid has a molecular weight of 2543.78 g/mol, XLogP of 28.66, 52 rotatable bonds, 5 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1,3-benzoxazol-2-yl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[(3-cyclopropylphenoxy)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-methoxyphenoxy)carbonyl-[1-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethyl]amino]acetic acid;2-[[2-(4-methylphenyl)acetyl]-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]amino]acetic acid is sourced from PubChem (CID 157281987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).