4-ethyl-5-methyl-2-phenyl-1,3-oxazole;2-[(4-methoxyphenoxy)carbonyl-[[4-[2-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propoxy]phenyl]methyl]amino]acetic acid

C43H45N3O8 — CID 159718898

About 4-ethyl-5-methyl-2-phenyl-1,3-oxazole;2-[(4-methoxyphenoxy)carbonyl-[[4-[2-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propoxy]phenyl]methyl]amino]acetic acid

4-ethyl-5-methyl-2-phenyl-1,3-oxazole;2-[(4-methoxyphenoxy)carbonyl-[[4-[2-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propoxy]phenyl]methyl]amino]acetic acid (PubChem CID 159718898) has the molecular formula C43H45N3O8 and a molecular weight of 731.85 g/mol. Its IUPAC name is 4-ethyl-5-methyl-2-phenyl-1,3-oxazole;2-[(4-methoxyphenoxy)carbonyl-[[4-[2-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propoxy]phenyl]methyl]amino]acetic acid.

Molecular Properties

• Compound Name: 4-ethyl-5-methyl-2-phenyl-1,3-oxazole;2-[(4-methoxyphenoxy)carbonyl-[[4-[2-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propoxy]phenyl]methyl]amino]acetic acid
• PubChem CID: 159718898
• Molecular Formula: C43H45N3O8
• Molecular Weight: 731.85 g/mol
• Exact Mass: 731.32
• IUPAC Name: 4-ethyl-5-methyl-2-phenyl-1,3-oxazole;2-[(4-methoxyphenoxy)carbonyl-[[4-[2-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propoxy]phenyl]methyl]amino]acetic acid
• SMILES: CCc1nc(-c2ccccc2)oc1C.COc1ccc(OC(=O)N(CC(=O)O)Cc2ccc(OCC(C)(C)c3nc(-c4ccccc4)oc3C)cc2)cc1
• InChI: InChI=1S/C31H32N2O7.C12H13NO/c1-21-28(32-29(39-21)23-8-6-5-7-9-23)31(2,3)20-38-25-12-10-22(11-13-25)18-33(19-27(34)35)30(36)40-26-16-14-24(37-4)15-17-26;1-3-11-9(2)14-12(13-11)10-7-5-4-6-8-10/h5-17H,18-20H2,1-4H3,(H,34,35);4-8H,3H2,1-2H3
• InChIKey: MZTYAMKROXSIBU-UHFFFAOYSA-N
• XLogP: 9.31
• TPSA: 137.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 13
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	731.85
LogP ≤ 5	9.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-methyl-2-phenyl-1,3-oxazole;2-[(4-methoxyphenoxy)carbonyl-[[4-[2-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propoxy]phenyl]methyl]amino]acetic acid?

The IUPAC name of 4-ethyl-5-methyl-2-phenyl-1,3-oxazole;2-[(4-methoxyphenoxy)carbonyl-[[4-[2-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propoxy]phenyl]methyl]amino]acetic acid (CID 159718898) is 4-ethyl-5-methyl-2-phenyl-1,3-oxazole;2-[(4-methoxyphenoxy)carbonyl-[[4-[2-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propoxy]phenyl]methyl]amino]acetic acid.

What is the SMILES notation for 4-ethyl-5-methyl-2-phenyl-1,3-oxazole;2-[(4-methoxyphenoxy)carbonyl-[[4-[2-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propoxy]phenyl]methyl]amino]acetic acid?

The canonical SMILES for 4-ethyl-5-methyl-2-phenyl-1,3-oxazole;2-[(4-methoxyphenoxy)carbonyl-[[4-[2-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propoxy]phenyl]methyl]amino]acetic acid is CCc1nc(-c2ccccc2)oc1C.COc1ccc(OC(=O)N(CC(=O)O)Cc2ccc(OCC(C)(C)c3nc(-c4ccccc4)oc3C)cc2)cc1.

What is the InChIKey of 4-ethyl-5-methyl-2-phenyl-1,3-oxazole;2-[(4-methoxyphenoxy)carbonyl-[[4-[2-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propoxy]phenyl]methyl]amino]acetic acid?

The InChIKey is MZTYAMKROXSIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N2O7.C12H13NO/c1-21-28(32-29(39-21)23-8-6-5-7-9-23)31(2,3)20-38-25-12-10-22(11-13-25)18-33(19-27(34)35)30(36)40-26-16-14-24(37-4)15-17-26;1-3-11-9(2)14-12(13-11)10-7-5-4-6-8-10/h5-17H,18-20H2,1-4H3,(H,34,35);4-8H,3H2,1-2H3.

What are the key properties of 4-ethyl-5-methyl-2-phenyl-1,3-oxazole;2-[(4-methoxyphenoxy)carbonyl-[[4-[2-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propoxy]phenyl]methyl]amino]acetic acid?

4-ethyl-5-methyl-2-phenyl-1,3-oxazole;2-[(4-methoxyphenoxy)carbonyl-[[4-[2-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propoxy]phenyl]methyl]amino]acetic acid has a molecular weight of 731.85 g/mol, XLogP of 9.31, 13 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-ethyl-5-methyl-2-phenyl-1,3-oxazole;2-[(4-methoxyphenoxy)carbonyl-[[4-[2-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propoxy]phenyl]methyl]amino]acetic acid is sourced from PubChem (CID 159718898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).