2-[(4-methoxyphenoxy)carbonyl-[[3-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propa-1,2-dienyl]phenyl]methyl]amino]acetic acid;2-[(4-methoxyphenoxy)carbonyl-[[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propa-1,2-dienyl]phenyl]methyl]amino]acetic acid;2-[(4-methoxyphenoxy)carbonyl-[[3-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]phenyl]methyl]amino]acetic acid;2-[(4-methoxyphenoxy)carbonyl-[[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]phenyl]methyl]amino]acetic acid

C120H112N8O24 — CID 157352682

About 2-[(4-methoxyphenoxy)carbonyl-[[3-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propa-1,2-dienyl]phenyl]methyl]amino]acetic acid;2-[(4-methoxyphenoxy)carbonyl-[[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propa-1,2-dienyl]phenyl]methyl]amino]acetic acid;2-[(4-methoxyphenoxy)carbonyl-[[3-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]phenyl]methyl]amino]acetic acid;2-[(4-methoxyphenoxy)carbonyl-[[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]phenyl]methyl]amino]acetic acid

2-[(4-methoxyphenoxy)carbonyl-[[3-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propa-1,2-dienyl]phenyl]methyl]amino]acetic acid;2-[(4-methoxyphenoxy)carbonyl-[[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propa-1,2-dienyl]phenyl]methyl]amino]acetic acid;2-[(4-methoxyphenoxy)carbonyl-[[3-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]phenyl]methyl]amino]acetic acid;2-[(4-methoxyphenoxy)carbonyl-[[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]phenyl]methyl]amino]acetic acid (PubChem CID 157352682) has the molecular formula C120H112N8O24 and a molecular weight of 2050.25 g/mol. Its IUPAC name is 2-[(4-methoxyphenoxy)carbonyl-[[3-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propa-1,2-dienyl]phenyl]methyl]amino]acetic acid;2-[(4-methoxyphenoxy)carbonyl-[[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propa-1,2-dienyl]phenyl]methyl]amino]acetic acid;2-[(4-methoxyphenoxy)carbonyl-[[3-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]phenyl]methyl]amino]acetic acid;2-[(4-methoxyphenoxy)carbonyl-[[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]phenyl]methyl]amino]acetic acid.

Molecular Properties

• Compound Name: 2-[(4-methoxyphenoxy)carbonyl-[[3-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propa-1,2-dienyl]phenyl]methyl]amino]acetic acid;2-[(4-methoxyphenoxy)carbonyl-[[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propa-1,2-dienyl]phenyl]methyl]amino]acetic acid;2-[(4-methoxyphenoxy)carbonyl-[[3-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]phenyl]methyl]amino]acetic acid;2-[(4-methoxyphenoxy)carbonyl-[[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]phenyl]methyl]amino]acetic acid
• PubChem CID: 157352682
• Molecular Formula: C120H112N8O24
• Molecular Weight: 2050.25 g/mol
• Exact Mass: 2048.78
• IUPAC Name: 2-[(4-methoxyphenoxy)carbonyl-[[3-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propa-1,2-dienyl]phenyl]methyl]amino]acetic acid;2-[(4-methoxyphenoxy)carbonyl-[[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propa-1,2-dienyl]phenyl]methyl]amino]acetic acid;2-[(4-methoxyphenoxy)carbonyl-[[3-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]phenyl]methyl]amino]acetic acid;2-[(4-methoxyphenoxy)carbonyl-[[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]phenyl]methyl]amino]acetic acid
• SMILES: COc1ccc(OC(=O)N(CC(=O)O)Cc2ccc(C=C=Cc3nc(-c4ccccc4)oc3C)cc2)cc1.COc1ccc(OC(=O)N(CC(=O)O)Cc2ccc(CCCc3nc(-c4ccccc4)oc3C)cc2)cc1.COc1ccc(OC(=O)N(CC(=O)O)Cc2cccc(C=C=Cc3nc(-c4ccccc4)oc3C)c2)cc1.COc1ccc(OC(=O)N(CC(=O)O)Cc2cccc(CCCc3nc(-c4ccccc4)oc3C)c2)cc1
• InChI: InChI=1S/C30H30N2O6.C30H26N2O6.C30H30N2O6.C30H26N2O6/c2*1-21-27(31-29(37-21)24-11-4-3-5-12-24)13-7-9-22-8-6-10-23(18-22)19-32(20-28(33)34)30(35)38-26-16-14-25(36-2)15-17-26;2*1-21-27(31-29(37-21)24-8-4-3-5-9-24)10-6-7-22-11-13-23(14-12-22)19-32(20-28(33)34)30(35)38-26-17-15-25(36-2)16-18-26/h3-6,8,10-12,14-18H,7,9,13,19-20H2,1-2H3,(H,33,34);3-6,8-18H,19-20H2,1-2H3,(H,33,34);3-5,8-9,11-18H,6-7,10,19-20H2,1-2H3,(H,33,34);3-5,7-18H,19-20H2,1-2H3,(H,33,34)
• InChIKey: BHSJMLPGJWUDJJ-UHFFFAOYSA-N
• XLogP: 23.98
• TPSA: 408.40 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 24
• Rotatable Bonds: 40
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2050.25
LogP ≤ 5	23.98
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

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

The IUPAC name of 2-[(4-methoxyphenoxy)carbonyl-[[3-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propa-1,2-dienyl]phenyl]methyl]amino]acetic acid;2-[(4-methoxyphenoxy)carbonyl-[[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propa-1,2-dienyl]phenyl]methyl]amino]acetic acid;2-[(4-methoxyphenoxy)carbonyl-[[3-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]phenyl]methyl]amino]acetic acid;2-[(4-methoxyphenoxy)carbonyl-[[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]phenyl]methyl]amino]acetic acid (CID 157352682) is 2-[(4-methoxyphenoxy)carbonyl-[[3-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propa-1,2-dienyl]phenyl]methyl]amino]acetic acid;2-[(4-methoxyphenoxy)carbonyl-[[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propa-1,2-dienyl]phenyl]methyl]amino]acetic acid;2-[(4-methoxyphenoxy)carbonyl-[[3-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]phenyl]methyl]amino]acetic acid;2-[(4-methoxyphenoxy)carbonyl-[[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]phenyl]methyl]amino]acetic acid.

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

The canonical SMILES for 2-[(4-methoxyphenoxy)carbonyl-[[3-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propa-1,2-dienyl]phenyl]methyl]amino]acetic acid;2-[(4-methoxyphenoxy)carbonyl-[[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propa-1,2-dienyl]phenyl]methyl]amino]acetic acid;2-[(4-methoxyphenoxy)carbonyl-[[3-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]phenyl]methyl]amino]acetic acid;2-[(4-methoxyphenoxy)carbonyl-[[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]phenyl]methyl]amino]acetic acid is COc1ccc(OC(=O)N(CC(=O)O)Cc2ccc(C=C=Cc3nc(-c4ccccc4)oc3C)cc2)cc1.COc1ccc(OC(=O)N(CC(=O)O)Cc2ccc(CCCc3nc(-c4ccccc4)oc3C)cc2)cc1.COc1ccc(OC(=O)N(CC(=O)O)Cc2cccc(C=C=Cc3nc(-c4ccccc4)oc3C)c2)cc1.COc1ccc(OC(=O)N(CC(=O)O)Cc2cccc(CCCc3nc(-c4ccccc4)oc3C)c2)cc1.

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

The InChIKey is BHSJMLPGJWUDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N2O6.C30H26N2O6.C30H30N2O6.C30H26N2O6/c2*1-21-27(31-29(37-21)24-11-4-3-5-12-24)13-7-9-22-8-6-10-23(18-22)19-32(20-28(33)34)30(35)38-26-16-14-25(36-2)15-17-26;2*1-21-27(31-29(37-21)24-8-4-3-5-9-24)10-6-7-22-11-13-23(14-12-22)19-32(20-28(33)34)30(35)38-26-17-15-25(36-2)16-18-26/h3-6,8,10-12,14-18H,7,9,13,19-20H2,1-2H3,(H,33,34);3-6,8-18H,19-20H2,1-2H3,(H,33,34);3-5,8-9,11-18H,6-7,10,19-20H2,1-2H3,(H,33,34);3-5,7-18H,19-20H2,1-2H3,(H,33,34).

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

2-[(4-methoxyphenoxy)carbonyl-[[3-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propa-1,2-dienyl]phenyl]methyl]amino]acetic acid;2-[(4-methoxyphenoxy)carbonyl-[[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propa-1,2-dienyl]phenyl]methyl]amino]acetic acid;2-[(4-methoxyphenoxy)carbonyl-[[3-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]phenyl]methyl]amino]acetic acid;2-[(4-methoxyphenoxy)carbonyl-[[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]phenyl]methyl]amino]acetic acid has a molecular weight of 2050.25 g/mol, XLogP of 23.98, 40 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4-methoxyphenoxy)carbonyl-[[3-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propa-1,2-dienyl]phenyl]methyl]amino]acetic acid;2-[(4-methoxyphenoxy)carbonyl-[[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propa-1,2-dienyl]phenyl]methyl]amino]acetic acid;2-[(4-methoxyphenoxy)carbonyl-[[3-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]phenyl]methyl]amino]acetic acid;2-[(4-methoxyphenoxy)carbonyl-[[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]phenyl]methyl]amino]acetic acid is sourced from PubChem (CID 157352682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).