1,3-benzodioxol-5-yl N-ethyl-N-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]carbamate;2-[1,3-benzodioxol-5-yloxycarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[(4-methylphenoxy)carbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;[4-(trifluoromethoxy)phenyl] N-ethyl-N-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]carbamate

C116H109F3N8O25 — CID 90908658

About 1,3-benzodioxol-5-yl N-ethyl-N-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]carbamate;2-[1,3-benzodioxol-5-yloxycarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[(4-methylphenoxy)carbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;[4-(trifluoromethoxy)phenyl] N-ethyl-N-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]carbamate

1,3-benzodioxol-5-yl N-ethyl-N-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]carbamate;2-[1,3-benzodioxol-5-yloxycarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[(4-methylphenoxy)carbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;[4-(trifluoromethoxy)phenyl] N-ethyl-N-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]carbamate (PubChem CID 90908658) has the molecular formula C116H109F3N8O25 and a molecular weight of 2072.17 g/mol. Its IUPAC name is 1,3-benzodioxol-5-yl N-ethyl-N-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]carbamate;2-[1,3-benzodioxol-5-yloxycarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[(4-methylphenoxy)carbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;[4-(trifluoromethoxy)phenyl] N-ethyl-N-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]carbamate.

Molecular Properties

• Compound Name: 1,3-benzodioxol-5-yl N-ethyl-N-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]carbamate;2-[1,3-benzodioxol-5-yloxycarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[(4-methylphenoxy)carbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;[4-(trifluoromethoxy)phenyl] N-ethyl-N-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]carbamate
• PubChem CID: 90908658
• Molecular Formula: C116H109F3N8O25
• Molecular Weight: 2072.17 g/mol
• Exact Mass: 2070.75
• IUPAC Name: 1,3-benzodioxol-5-yl N-ethyl-N-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]carbamate;2-[1,3-benzodioxol-5-yloxycarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[(4-methylphenoxy)carbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;[4-(trifluoromethoxy)phenyl] N-ethyl-N-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]carbamate
• SMILES: CCN(Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1)C(=O)Oc1ccc(OC(F)(F)F)cc1.CCN(Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1)C(=O)Oc1ccc2c(c1)OCO2.Cc1ccc(OC(=O)N(CC(=O)O)Cc2cccc(OCCc3nc(-c4ccccc4)oc3C)c2)cc1.Cc1oc(-c2ccccc2)nc1CCOc1cccc(CN(CC(=O)O)C(=O)Oc2ccc3c(c2)OCO3)c1
• InChI: InChI=1S/C29H27F3N2O5.C29H26N2O8.2C29H28N2O6/c1-3-34(28(35)38-24-13-15-25(16-14-24)39-29(30,31)32)19-21-9-11-23(12-10-21)36-18-17-26-20(2)37-27(33-26)22-7-5-4-6-8-22;1-19-24(30-28(38-19)21-7-3-2-4-8-21)12-13-35-22-9-5-6-20(14-22)16-31(17-27(32)33)29(34)39-23-10-11-25-26(15-23)37-18-36-25;1-3-31(29(32)37-24-13-14-26-27(17-24)35-19-34-26)18-21-9-11-23(12-10-21)33-16-15-25-20(2)36-28(30-25)22-7-5-4-6-8-22;1-20-11-13-24(14-12-20)37-29(34)31(19-27(32)33)18-22-7-6-10-25(17-22)35-16-15-26-21(2)36-28(30-26)23-8-4-3-5-9-23/h4-16H,3,17-19H2,1-2H3;2-11,14-15H,12-13,16-18H2,1H3,(H,32,33);4-14,17H,3,15-16,18-19H2,1-2H3;3-14,17H,15-16,18-19H2,1-2H3,(H,32,33)
• InChIKey: QONOPIVBDSJJRU-UHFFFAOYSA-N
• XLogP: 23.96
• TPSA: 379.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 27
• Rotatable Bonds: 39
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2072.17
LogP ≤ 5	23.96
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 1,3-benzodioxol-5-yl N-ethyl-N-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]carbamate;2-[1,3-benzodioxol-5-yloxycarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[(4-methylphenoxy)carbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;[4-(trifluoromethoxy)phenyl] N-ethyl-N-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]carbamate?

The IUPAC name of 1,3-benzodioxol-5-yl N-ethyl-N-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]carbamate;2-[1,3-benzodioxol-5-yloxycarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[(4-methylphenoxy)carbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;[4-(trifluoromethoxy)phenyl] N-ethyl-N-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]carbamate (CID 90908658) is 1,3-benzodioxol-5-yl N-ethyl-N-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]carbamate;2-[1,3-benzodioxol-5-yloxycarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[(4-methylphenoxy)carbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;[4-(trifluoromethoxy)phenyl] N-ethyl-N-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]carbamate.

What is the SMILES notation for 1,3-benzodioxol-5-yl N-ethyl-N-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]carbamate;2-[1,3-benzodioxol-5-yloxycarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[(4-methylphenoxy)carbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;[4-(trifluoromethoxy)phenyl] N-ethyl-N-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]carbamate?

The canonical SMILES for 1,3-benzodioxol-5-yl N-ethyl-N-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]carbamate;2-[1,3-benzodioxol-5-yloxycarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[(4-methylphenoxy)carbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;[4-(trifluoromethoxy)phenyl] N-ethyl-N-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]carbamate is CCN(Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1)C(=O)Oc1ccc(OC(F)(F)F)cc1.CCN(Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1)C(=O)Oc1ccc2c(c1)OCO2.Cc1ccc(OC(=O)N(CC(=O)O)Cc2cccc(OCCc3nc(-c4ccccc4)oc3C)c2)cc1.Cc1oc(-c2ccccc2)nc1CCOc1cccc(CN(CC(=O)O)C(=O)Oc2ccc3c(c2)OCO3)c1.

What is the InChIKey of 1,3-benzodioxol-5-yl N-ethyl-N-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]carbamate;2-[1,3-benzodioxol-5-yloxycarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[(4-methylphenoxy)carbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;[4-(trifluoromethoxy)phenyl] N-ethyl-N-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]carbamate?

The InChIKey is QONOPIVBDSJJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27F3N2O5.C29H26N2O8.2C29H28N2O6/c1-3-34(28(35)38-24-13-15-25(16-14-24)39-29(30,31)32)19-21-9-11-23(12-10-21)36-18-17-26-20(2)37-27(33-26)22-7-5-4-6-8-22;1-19-24(30-28(38-19)21-7-3-2-4-8-21)12-13-35-22-9-5-6-20(14-22)16-31(17-27(32)33)29(34)39-23-10-11-25-26(15-23)37-18-36-25;1-3-31(29(32)37-24-13-14-26-27(17-24)35-19-34-26)18-21-9-11-23(12-10-21)33-16-15-25-20(2)36-28(30-25)22-7-5-4-6-8-22;1-20-11-13-24(14-12-20)37-29(34)31(19-27(32)33)18-22-7-6-10-25(17-22)35-16-15-26-21(2)36-28(30-26)23-8-4-3-5-9-23/h4-16H,3,17-19H2,1-2H3;2-11,14-15H,12-13,16-18H2,1H3,(H,32,33);4-14,17H,3,15-16,18-19H2,1-2H3;3-14,17H,15-16,18-19H2,1-2H3,(H,32,33).

What are the key properties of 1,3-benzodioxol-5-yl N-ethyl-N-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]carbamate;2-[1,3-benzodioxol-5-yloxycarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[(4-methylphenoxy)carbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;[4-(trifluoromethoxy)phenyl] N-ethyl-N-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]carbamate?

1,3-benzodioxol-5-yl N-ethyl-N-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]carbamate;2-[1,3-benzodioxol-5-yloxycarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[(4-methylphenoxy)carbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;[4-(trifluoromethoxy)phenyl] N-ethyl-N-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]carbamate has a molecular weight of 2072.17 g/mol, XLogP of 23.96, 39 rotatable bonds, 2 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-benzodioxol-5-yl N-ethyl-N-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]carbamate;2-[1,3-benzodioxol-5-yloxycarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[(4-methylphenoxy)carbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;[4-(trifluoromethoxy)phenyl] N-ethyl-N-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]carbamate is sourced from PubChem (CID 90908658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).