2-[(4-chlorophenyl)methoxycarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;(4-methoxyphenyl) N-ethyl-N-[[3-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propa-1,2-dienyl]phenyl]methyl]carbamate;(4-methoxyphenyl) N-ethyl-N-[[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propa-1,2-dienyl]phenyl]methyl]carbamate;(4-methoxyphenyl) N-ethyl-N-[[3-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]phenyl]methyl]carbamate;(4-methoxyphenyl) N-ethyl-N-[[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]phenyl]methyl]carbamate;2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-[[4-(trifluoromethoxy)phenyl]methoxycarbonyl]amino]acetic acid

C179H174ClF3N12O29 — CID 159139836

About 2-[(4-chlorophenyl)methoxycarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;(4-methoxyphenyl) N-ethyl-N-[[3-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propa-1,2-dienyl]phenyl]methyl]carbamate;(4-methoxyphenyl) N-ethyl-N-[[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propa-1,2-dienyl]phenyl]methyl]carbamate;(4-methoxyphenyl) N-ethyl-N-[[3-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]phenyl]methyl]carbamate;(4-methoxyphenyl) N-ethyl-N-[[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]phenyl]methyl]carbamate;2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-[[4-(trifluoromethoxy)phenyl]methoxycarbonyl]amino]acetic acid

2-[(4-chlorophenyl)methoxycarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;(4-methoxyphenyl) N-ethyl-N-[[3-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propa-1,2-dienyl]phenyl]methyl]carbamate;(4-methoxyphenyl) N-ethyl-N-[[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propa-1,2-dienyl]phenyl]methyl]carbamate;(4-methoxyphenyl) N-ethyl-N-[[3-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]phenyl]methyl]carbamate;(4-methoxyphenyl) N-ethyl-N-[[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]phenyl]methyl]carbamate;2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-[[4-(trifluoromethoxy)phenyl]methoxycarbonyl]amino]acetic acid (PubChem CID 159139836) has the molecular formula C179H174ClF3N12O29 and a molecular weight of 3049.86 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methoxycarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;(4-methoxyphenyl) N-ethyl-N-[[3-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propa-1,2-dienyl]phenyl]methyl]carbamate;(4-methoxyphenyl) N-ethyl-N-[[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propa-1,2-dienyl]phenyl]methyl]carbamate;(4-methoxyphenyl) N-ethyl-N-[[3-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]phenyl]methyl]carbamate;(4-methoxyphenyl) N-ethyl-N-[[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]phenyl]methyl]carbamate;2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-[[4-(trifluoromethoxy)phenyl]methoxycarbonyl]amino]acetic acid.

Molecular Properties

• Compound Name: 2-[(4-chlorophenyl)methoxycarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;(4-methoxyphenyl) N-ethyl-N-[[3-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propa-1,2-dienyl]phenyl]methyl]carbamate;(4-methoxyphenyl) N-ethyl-N-[[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propa-1,2-dienyl]phenyl]methyl]carbamate;(4-methoxyphenyl) N-ethyl-N-[[3-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]phenyl]methyl]carbamate;(4-methoxyphenyl) N-ethyl-N-[[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]phenyl]methyl]carbamate;2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-[[4-(trifluoromethoxy)phenyl]methoxycarbonyl]amino]acetic acid
• PubChem CID: 159139836
• Molecular Formula: C179H174ClF3N12O29
• Molecular Weight: 3049.86 g/mol
• Exact Mass: 3047.22
• IUPAC Name: 2-[(4-chlorophenyl)methoxycarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;(4-methoxyphenyl) N-ethyl-N-[[3-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propa-1,2-dienyl]phenyl]methyl]carbamate;(4-methoxyphenyl) N-ethyl-N-[[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propa-1,2-dienyl]phenyl]methyl]carbamate;(4-methoxyphenyl) N-ethyl-N-[[3-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]phenyl]methyl]carbamate;(4-methoxyphenyl) N-ethyl-N-[[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]phenyl]methyl]carbamate;2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-[[4-(trifluoromethoxy)phenyl]methoxycarbonyl]amino]acetic acid
• SMILES: CCN(Cc1ccc(C=C=Cc2nc(-c3ccccc3)oc2C)cc1)C(=O)Oc1ccc(OC)cc1.CCN(Cc1ccc(CCCc2nc(-c3ccccc3)oc2C)cc1)C(=O)Oc1ccc(OC)cc1.CCN(Cc1cccc(C=C=Cc2nc(-c3ccccc3)oc2C)c1)C(=O)Oc1ccc(OC)cc1.CCN(Cc1cccc(CCCc2nc(-c3ccccc3)oc2C)c1)C(=O)Oc1ccc(OC)cc1.Cc1oc(-c2ccccc2)nc1CCOc1ccc(CN(CC(=O)O)C(=O)OCc2ccc(OC(F)(F)F)cc2)cc1.Cc1oc(-c2ccccc2)nc1CCOc1cccc(CN(CC(=O)O)C(=O)OCc2ccc(Cl)cc2)c1
• InChI: InChI=1S/C30H27F3N2O7.C30H32N2O4.C30H28N2O4.C30H32N2O4.C30H28N2O4.C29H27ClN2O6/c1-20-26(34-28(41-20)23-5-3-2-4-6-23)15-16-39-24-11-7-21(8-12-24)17-35(18-27(36)37)29(38)40-19-22-9-13-25(14-10-22)42-30(31,32)33;2*1-4-32(30(33)36-27-18-16-26(34-3)17-19-27)21-24-12-8-10-23(20-24)11-9-15-28-22(2)35-29(31-28)25-13-6-5-7-14-25;2*1-4-32(30(33)36-27-19-17-26(34-3)18-20-27)21-24-15-13-23(14-16-24)9-8-12-28-22(2)35-29(31-28)25-10-6-5-7-11-25;1-20-26(31-28(38-20)23-7-3-2-4-8-23)14-15-36-25-9-5-6-22(16-25)17-32(18-27(33)34)29(35)37-19-21-10-12-24(30)13-11-21/h2-14H,15-19H2,1H3,(H,36,37);5-8,10,12-14,16-20H,4,9,11,15,21H2,1-3H3;5-8,10-20H,4,21H2,1-3H3;5-7,10-11,13-20H,4,8-9,12,21H2,1-3H3;5-7,9-20H,4,21H2,1-3H3;2-13,16H,14-15,17-19H2,1H3,(H,33,34)
• InChIKey: KHYPNADLLMXMHC-UHFFFAOYSA-N
• XLogP: 40.26
• TPSA: 472.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 33
• Rotatable Bonds: 59
• Heavy Atoms: 224
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3049.86
LogP ≤ 5	40.26
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methoxycarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;(4-methoxyphenyl) N-ethyl-N-[[3-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propa-1,2-dienyl]phenyl]methyl]carbamate;(4-methoxyphenyl) N-ethyl-N-[[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propa-1,2-dienyl]phenyl]methyl]carbamate;(4-methoxyphenyl) N-ethyl-N-[[3-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]phenyl]methyl]carbamate;(4-methoxyphenyl) N-ethyl-N-[[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]phenyl]methyl]carbamate;2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-[[4-(trifluoromethoxy)phenyl]methoxycarbonyl]amino]acetic acid?

The IUPAC name of 2-[(4-chlorophenyl)methoxycarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;(4-methoxyphenyl) N-ethyl-N-[[3-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propa-1,2-dienyl]phenyl]methyl]carbamate;(4-methoxyphenyl) N-ethyl-N-[[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propa-1,2-dienyl]phenyl]methyl]carbamate;(4-methoxyphenyl) N-ethyl-N-[[3-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]phenyl]methyl]carbamate;(4-methoxyphenyl) N-ethyl-N-[[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]phenyl]methyl]carbamate;2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-[[4-(trifluoromethoxy)phenyl]methoxycarbonyl]amino]acetic acid (CID 159139836) is 2-[(4-chlorophenyl)methoxycarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;(4-methoxyphenyl) N-ethyl-N-[[3-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propa-1,2-dienyl]phenyl]methyl]carbamate;(4-methoxyphenyl) N-ethyl-N-[[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propa-1,2-dienyl]phenyl]methyl]carbamate;(4-methoxyphenyl) N-ethyl-N-[[3-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]phenyl]methyl]carbamate;(4-methoxyphenyl) N-ethyl-N-[[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]phenyl]methyl]carbamate;2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-[[4-(trifluoromethoxy)phenyl]methoxycarbonyl]amino]acetic acid.

What is the SMILES notation for 2-[(4-chlorophenyl)methoxycarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;(4-methoxyphenyl) N-ethyl-N-[[3-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propa-1,2-dienyl]phenyl]methyl]carbamate;(4-methoxyphenyl) N-ethyl-N-[[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propa-1,2-dienyl]phenyl]methyl]carbamate;(4-methoxyphenyl) N-ethyl-N-[[3-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]phenyl]methyl]carbamate;(4-methoxyphenyl) N-ethyl-N-[[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]phenyl]methyl]carbamate;2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-[[4-(trifluoromethoxy)phenyl]methoxycarbonyl]amino]acetic acid?

The canonical SMILES for 2-[(4-chlorophenyl)methoxycarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;(4-methoxyphenyl) N-ethyl-N-[[3-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propa-1,2-dienyl]phenyl]methyl]carbamate;(4-methoxyphenyl) N-ethyl-N-[[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propa-1,2-dienyl]phenyl]methyl]carbamate;(4-methoxyphenyl) N-ethyl-N-[[3-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]phenyl]methyl]carbamate;(4-methoxyphenyl) N-ethyl-N-[[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]phenyl]methyl]carbamate;2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-[[4-(trifluoromethoxy)phenyl]methoxycarbonyl]amino]acetic acid is CCN(Cc1ccc(C=C=Cc2nc(-c3ccccc3)oc2C)cc1)C(=O)Oc1ccc(OC)cc1.CCN(Cc1ccc(CCCc2nc(-c3ccccc3)oc2C)cc1)C(=O)Oc1ccc(OC)cc1.CCN(Cc1cccc(C=C=Cc2nc(-c3ccccc3)oc2C)c1)C(=O)Oc1ccc(OC)cc1.CCN(Cc1cccc(CCCc2nc(-c3ccccc3)oc2C)c1)C(=O)Oc1ccc(OC)cc1.Cc1oc(-c2ccccc2)nc1CCOc1ccc(CN(CC(=O)O)C(=O)OCc2ccc(OC(F)(F)F)cc2)cc1.Cc1oc(-c2ccccc2)nc1CCOc1cccc(CN(CC(=O)O)C(=O)OCc2ccc(Cl)cc2)c1.

What is the InChIKey of 2-[(4-chlorophenyl)methoxycarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;(4-methoxyphenyl) N-ethyl-N-[[3-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propa-1,2-dienyl]phenyl]methyl]carbamate;(4-methoxyphenyl) N-ethyl-N-[[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propa-1,2-dienyl]phenyl]methyl]carbamate;(4-methoxyphenyl) N-ethyl-N-[[3-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]phenyl]methyl]carbamate;(4-methoxyphenyl) N-ethyl-N-[[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]phenyl]methyl]carbamate;2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-[[4-(trifluoromethoxy)phenyl]methoxycarbonyl]amino]acetic acid?

The InChIKey is KHYPNADLLMXMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27F3N2O7.C30H32N2O4.C30H28N2O4.C30H32N2O4.C30H28N2O4.C29H27ClN2O6/c1-20-26(34-28(41-20)23-5-3-2-4-6-23)15-16-39-24-11-7-21(8-12-24)17-35(18-27(36)37)29(38)40-19-22-9-13-25(14-10-22)42-30(31,32)33;2*1-4-32(30(33)36-27-18-16-26(34-3)17-19-27)21-24-12-8-10-23(20-24)11-9-15-28-22(2)35-29(31-28)25-13-6-5-7-14-25;2*1-4-32(30(33)36-27-19-17-26(34-3)18-20-27)21-24-15-13-23(14-16-24)9-8-12-28-22(2)35-29(31-28)25-10-6-5-7-11-25;1-20-26(31-28(38-20)23-7-3-2-4-8-23)14-15-36-25-9-5-6-22(16-25)17-32(18-27(33)34)29(35)37-19-21-10-12-24(30)13-11-21/h2-14H,15-19H2,1H3,(H,36,37);5-8,10,12-14,16-20H,4,9,11,15,21H2,1-3H3;5-8,10-20H,4,21H2,1-3H3;5-7,10-11,13-20H,4,8-9,12,21H2,1-3H3;5-7,9-20H,4,21H2,1-3H3;2-13,16H,14-15,17-19H2,1H3,(H,33,34).

What are the key properties of 2-[(4-chlorophenyl)methoxycarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;(4-methoxyphenyl) N-ethyl-N-[[3-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propa-1,2-dienyl]phenyl]methyl]carbamate;(4-methoxyphenyl) N-ethyl-N-[[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propa-1,2-dienyl]phenyl]methyl]carbamate;(4-methoxyphenyl) N-ethyl-N-[[3-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]phenyl]methyl]carbamate;(4-methoxyphenyl) N-ethyl-N-[[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]phenyl]methyl]carbamate;2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-[[4-(trifluoromethoxy)phenyl]methoxycarbonyl]amino]acetic acid?

2-[(4-chlorophenyl)methoxycarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;(4-methoxyphenyl) N-ethyl-N-[[3-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propa-1,2-dienyl]phenyl]methyl]carbamate;(4-methoxyphenyl) N-ethyl-N-[[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propa-1,2-dienyl]phenyl]methyl]carbamate;(4-methoxyphenyl) N-ethyl-N-[[3-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]phenyl]methyl]carbamate;(4-methoxyphenyl) N-ethyl-N-[[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]phenyl]methyl]carbamate;2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-[[4-(trifluoromethoxy)phenyl]methoxycarbonyl]amino]acetic acid has a molecular weight of 3049.86 g/mol, XLogP of 40.26, 59 rotatable bonds, 2 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4-chlorophenyl)methoxycarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;(4-methoxyphenyl) N-ethyl-N-[[3-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propa-1,2-dienyl]phenyl]methyl]carbamate;(4-methoxyphenyl) N-ethyl-N-[[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propa-1,2-dienyl]phenyl]methyl]carbamate;(4-methoxyphenyl) N-ethyl-N-[[3-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]phenyl]methyl]carbamate;(4-methoxyphenyl) N-ethyl-N-[[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]phenyl]methyl]carbamate;2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-[[4-(trifluoromethoxy)phenyl]methoxycarbonyl]amino]acetic acid is sourced from PubChem (CID 159139836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).