2-[1,3-benzoxazol-2-yl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]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-fluoro-4-methylphenoxy)carbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[(4-methylphenoxy)carbonyl-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]amino]acetic acid

C113H103FN10O22 — CID 157419355

About 2-[1,3-benzoxazol-2-yl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]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-fluoro-4-methylphenoxy)carbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[(4-methylphenoxy)carbonyl-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]amino]acetic acid

2-[1,3-benzoxazol-2-yl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]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-fluoro-4-methylphenoxy)carbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[(4-methylphenoxy)carbonyl-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]amino]acetic acid (PubChem CID 157419355) has the molecular formula C113H103FN10O22 and a molecular weight of 1972.11 g/mol. Its IUPAC name is 2-[1,3-benzoxazol-2-yl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]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-fluoro-4-methylphenoxy)carbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[(4-methylphenoxy)carbonyl-[[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-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]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-fluoro-4-methylphenoxy)carbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[(4-methylphenoxy)carbonyl-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]amino]acetic acid
• PubChem CID: 157419355
• Molecular Formula: C113H103FN10O22
• Molecular Weight: 1972.11 g/mol
• Exact Mass: 1970.72
• IUPAC Name: 2-[1,3-benzoxazol-2-yl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]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-fluoro-4-methylphenoxy)carbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[(4-methylphenoxy)carbonyl-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]amino]acetic acid
• SMILES: Cc1ccc(OC(=O)N(CC(=O)O)Cc2ccc(OCCc3nc(-c4ccccc4)oc3C)cc2)cc1F.Cc1ccc(OC(=O)N(CC(=O)O)Cc2ccc(OCc3nc(-c4ccccc4)oc3C)cc2)cc1.Cc1oc(-c2ccccc2)nc1CCOc1ccc(CN(CC(=O)O)c2nc3ccccc3o2)cc1.Cc1oc(-c2ccccc2)nc1CCOc1cccc(CN(CC(=O)O)c2nc3ccccc3o2)c1
• InChI: InChI=1S/C29H27FN2O6.2C28H25N3O5.C28H26N2O6/c1-19-8-11-24(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;1-19-23(29-27(35-19)21-9-3-2-4-10-21)14-15-34-22-11-7-8-20(16-22)17-31(18-26(32)33)28-30-24-12-5-6-13-25(24)36-28;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;1-19-8-12-24(13-9-19)36-28(33)30(17-26(31)32)16-21-10-14-23(15-11-21)34-18-25-20(2)35-27(29-25)22-6-4-3-5-7-22/h3-13,16H,14-15,17-18H2,1-2H3,(H,33,34);2-13,16H,14-15,17-18H2,1H3,(H,32,33);2-14H,15-18H2,1H3,(H,32,33);3-15H,16-18H2,1-2H3,(H,31,32)
• InChIKey: BPFMQAVSFWBYRR-UHFFFAOYSA-N
• XLogP: 22.44
• TPSA: 407.86 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 26
• Rotatable Bonds: 39
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1972.11
LogP ≤ 5	22.44
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 2-[1,3-benzoxazol-2-yl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]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-fluoro-4-methylphenoxy)carbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[(4-methylphenoxy)carbonyl-[[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-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]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-fluoro-4-methylphenoxy)carbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[(4-methylphenoxy)carbonyl-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]amino]acetic acid (CID 157419355) is 2-[1,3-benzoxazol-2-yl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]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-fluoro-4-methylphenoxy)carbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[(4-methylphenoxy)carbonyl-[[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-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]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-fluoro-4-methylphenoxy)carbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[(4-methylphenoxy)carbonyl-[[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-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]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-fluoro-4-methylphenoxy)carbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[(4-methylphenoxy)carbonyl-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]amino]acetic acid is Cc1ccc(OC(=O)N(CC(=O)O)Cc2ccc(OCCc3nc(-c4ccccc4)oc3C)cc2)cc1F.Cc1ccc(OC(=O)N(CC(=O)O)Cc2ccc(OCc3nc(-c4ccccc4)oc3C)cc2)cc1.Cc1oc(-c2ccccc2)nc1CCOc1ccc(CN(CC(=O)O)c2nc3ccccc3o2)cc1.Cc1oc(-c2ccccc2)nc1CCOc1cccc(CN(CC(=O)O)c2nc3ccccc3o2)c1.

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

The InChIKey is BPFMQAVSFWBYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27FN2O6.2C28H25N3O5.C28H26N2O6/c1-19-8-11-24(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;1-19-23(29-27(35-19)21-9-3-2-4-10-21)14-15-34-22-11-7-8-20(16-22)17-31(18-26(32)33)28-30-24-12-5-6-13-25(24)36-28;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;1-19-8-12-24(13-9-19)36-28(33)30(17-26(31)32)16-21-10-14-23(15-11-21)34-18-25-20(2)35-27(29-25)22-6-4-3-5-7-22/h3-13,16H,14-15,17-18H2,1-2H3,(H,33,34);2-13,16H,14-15,17-18H2,1H3,(H,32,33);2-14H,15-18H2,1H3,(H,32,33);3-15H,16-18H2,1-2H3,(H,31,32).

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

2-[1,3-benzoxazol-2-yl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]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-fluoro-4-methylphenoxy)carbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[(4-methylphenoxy)carbonyl-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]amino]acetic acid has a molecular weight of 1972.11 g/mol, XLogP of 22.44, 39 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1,3-benzoxazol-2-yl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]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-fluoro-4-methylphenoxy)carbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[(4-methylphenoxy)carbonyl-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]amino]acetic acid is sourced from PubChem (CID 157419355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).