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-[(Z)-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)prop-1-enyl]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)prop-1-ynyl]phenyl]methyl]amino]acetic acid

C180H166N12O36 — CID 158304597

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-[(Z)-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)prop-1-enyl]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)prop-1-ynyl]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-[(Z)-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)prop-1-enyl]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)prop-1-ynyl]phenyl]methyl]amino]acetic acid (PubChem CID 158304597) has the molecular formula C180H166N12O36 and a molecular weight of 3073.36 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-[(Z)-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)prop-1-enyl]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)prop-1-ynyl]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-[(Z)-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)prop-1-enyl]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)prop-1-ynyl]phenyl]methyl]amino]acetic acid
• PubChem CID: 158304597
• Molecular Formula: C180H166N12O36
• Molecular Weight: 3073.36 g/mol
• Exact Mass: 3071.15
• 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-[(Z)-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)prop-1-enyl]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)prop-1-ynyl]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(C#CCc3nc(-c4ccccc4)oc3C)c2)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.C30H28N2O6.2C30H26N2O6.C30H30N2O6.C30H26N2O6/c4*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);3-12,14-18H,13,19-20H2,1-2H3,(H,33,34);3-6,8,10-12,14-18H,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)/b;9-7-
• InChIKey: GMXQFWDCZWNQQS-ZXSJLLMDSA-N
• XLogP: 35.32
• TPSA: 612.60 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 36
• Rotatable Bonds: 58
• Heavy Atoms: 228
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3073.36
LogP ≤ 5	35.32
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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-[(Z)-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)prop-1-enyl]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)prop-1-ynyl]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-[(Z)-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)prop-1-enyl]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)prop-1-ynyl]phenyl]methyl]amino]acetic acid (CID 158304597) 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-[(Z)-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)prop-1-enyl]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)prop-1-ynyl]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-[(Z)-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)prop-1-enyl]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)prop-1-ynyl]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-[(Z)-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)prop-1-enyl]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)prop-1-ynyl]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(C#CCc3nc(-c4ccccc4)oc3C)c2)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-[(Z)-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)prop-1-enyl]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)prop-1-ynyl]phenyl]methyl]amino]acetic acid?

The InChIKey is GMXQFWDCZWNQQS-ZXSJLLMDSA-N. The full InChI is InChI=1S/C30H30N2O6.C30H28N2O6.2C30H26N2O6.C30H30N2O6.C30H26N2O6/c4*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);3-12,14-18H,13,19-20H2,1-2H3,(H,33,34);3-6,8,10-12,14-18H,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)/b;9-7-;;;;.

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-[(Z)-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)prop-1-enyl]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)prop-1-ynyl]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-[(Z)-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)prop-1-enyl]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)prop-1-ynyl]phenyl]methyl]amino]acetic acid has a molecular weight of 3073.36 g/mol, XLogP of 35.32, 58 rotatable bonds, 6 hydrogen bond donors, and 36 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-[(Z)-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)prop-1-enyl]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)prop-1-ynyl]phenyl]methyl]amino]acetic acid is sourced from PubChem (CID 158304597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).