2-[1,3-benzodioxol-5-ylmethoxycarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;N-ethyl-N-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-1-phenylmethanesulfonamide;2-[(3-methylphenoxy)carbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-[(E)-2-phenylethenyl]sulfonylamino]acetic acid

C116H114N8O24S2 — CID 157134138

IUPAC2-[1,3-benzodioxol-5-ylmethoxycarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;N-ethyl-N-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-1-phenylmethanesulfonamide;2-[(3-methylphenoxy)carbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-[(E)-2-phenylethenyl]sulfonylamino]acetic acid
SMILESCCN(Cc1cccc(OCCc2nc(-c3ccccc3)oc2C)c1)S(=O)(=O)Cc1ccccc1.Cc1cccc(OC(=O)N(CC(=O)O)Cc2ccc(OCCc3nc(-c4ccccc4)oc3C)cc2)c1.Cc1oc(-c2ccccc2)nc1CCOc1cccc(CN(CC(=O)O)C(=O)OCc2ccc3c(c2)OCO3)c1.Cc1oc(-c2ccccc2)nc1CCOc1cccc(CN(CC(=O)O)S(=O)(=O)/C=C/c2ccccc2)c1
InChIInChI=1S/C30H28N2O8.C29H28N2O6S.C29H28N2O6.C28H30N2O4S/c1-20-25(31-29(40-20)23-7-3-2-4-8-23)12-13-36-24-9-5-6-21(14-24)16-32(17-28(33)34)30(35)37-18-22-10-11-26-27(15-22)39-19-38-26;1-22-27(30-29(37-22)25-12-6-3-7-13-25)15-17-36-26-14-8-11-24(19-26)20-31(21-28(32)33)38(34,35)18-16-23-9-4-2-5-10-23;1-20-7-6-10-25(17-20)37-29(34)31(19-27(32)33)18-22-11-13-24(14-12-22)35-16-15-26-21(2)36-28(30-26)23-8-4-3-5-9-23;1-3-30(35(31,32)21-23-11-6-4-7-12-23)20-24-13-10-16-26(19-24)33-18-17-27-22(2)34-28(29-27)25-14-8-5-9-15-25/h2-11,14-15H,12-13,16-19H2,1H3,(H,33,34);2-14,16,18-19H,15,17,20-21H2,1H3,(H,32,33);3-14,17H,15-16,18-19H2,1-2H3,(H,32,33);4-16,19H,3,17-18,20-21H2,1-2H3/b;18-16+;;
InChIKeyAJKPHFSTLSHWEL-IUAIOOMLSA-N
MW2068.35 g/mol
LogP21.67
Rot. Bonds44

About 2-[1,3-benzodioxol-5-ylmethoxycarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;N-ethyl-N-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-1-phenylmethanesulfonamide;2-[(3-methylphenoxy)carbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-[(E)-2-phenylethenyl]sulfonylamino]acetic acid

2-[1,3-benzodioxol-5-ylmethoxycarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;N-ethyl-N-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-1-phenylmethanesulfonamide;2-[(3-methylphenoxy)carbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-[(E)-2-phenylethenyl]sulfonylamino]acetic acid (PubChem CID 157134138) has the molecular formula C116H114N8O24S2 and a molecular weight of 2068.35 g/mol. Its IUPAC name is 2-[1,3-benzodioxol-5-ylmethoxycarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;N-ethyl-N-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-1-phenylmethanesulfonamide;2-[(3-methylphenoxy)carbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-[(E)-2-phenylethenyl]sulfonylamino]acetic acid.

Molecular Properties

Compound Name2-[1,3-benzodioxol-5-ylmethoxycarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;N-ethyl-N-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-1-phenylmethanesulfonamide;2-[(3-methylphenoxy)carbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-[(E)-2-phenylethenyl]sulfonylamino]acetic acid
PubChem CID157134138
Molecular FormulaC116H114N8O24S2
Molecular Weight2068.35 g/mol
Exact Mass2066.74
IUPAC Name2-[1,3-benzodioxol-5-ylmethoxycarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;N-ethyl-N-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-1-phenylmethanesulfonamide;2-[(3-methylphenoxy)carbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-[(E)-2-phenylethenyl]sulfonylamino]acetic acid
SMILESCCN(Cc1cccc(OCCc2nc(-c3ccccc3)oc2C)c1)S(=O)(=O)Cc1ccccc1.Cc1cccc(OC(=O)N(CC(=O)O)Cc2ccc(OCCc3nc(-c4ccccc4)oc3C)cc2)c1.Cc1oc(-c2ccccc2)nc1CCOc1cccc(CN(CC(=O)O)C(=O)OCc2ccc3c(c2)OCO3)c1.Cc1oc(-c2ccccc2)nc1CCOc1cccc(CN(CC(=O)O)S(=O)(=O)/C=C/c2ccccc2)c1
InChIInChI=1S/C30H28N2O8.C29H28N2O6S.C29H28N2O6.C28H30N2O4S/c1-20-25(31-29(40-20)23-7-3-2-4-8-23)12-13-36-24-9-5-6-21(14-24)16-32(17-28(33)34)30(35)37-18-22-10-11-26-27(15-22)39-19-38-26;1-22-27(30-29(37-22)25-12-6-3-7-13-25)15-17-36-26-14-8-11-24(19-26)20-31(21-28(32)33)38(34,35)18-16-23-9-4-2-5-10-23;1-20-7-6-10-25(17-20)37-29(34)31(19-27(32)33)18-22-11-13-24(14-12-22)35-16-15-26-21(2)36-28(30-26)23-8-4-3-5-9-23;1-3-30(35(31,32)21-23-11-6-4-7-12-23)20-24-13-10-16-26(19-24)33-18-17-27-22(2)34-28(29-27)25-14-8-5-9-15-25/h2-11,14-15H,12-13,16-19H2,1H3,(H,33,34);2-14,16,18-19H,15,17,20-21H2,1H3,(H,32,33);3-14,17H,15-16,18-19H2,1-2H3,(H,32,33);4-16,19H,3,17-18,20-21H2,1-2H3/b;18-16+;;
InChIKeyAJKPHFSTLSHWEL-IUAIOOMLSA-N
XLogP21.67
TPSA405.24 Ų
H-Bond Donors3
H-Bond Acceptors25
Rotatable Bonds44
Heavy Atoms150
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002068.35
LogP ≤ 521.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1025

Analyze 2-[1,3-benzodioxol-5-ylmethoxycarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;N-ethyl-N-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-1-phenylmethanesulfonamide;2-[(3-methylphenoxy)carbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-[(E)-2-phenylethenyl]sulfonylamino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1,3-benzodioxol-5-ylmethoxycarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;N-ethyl-N-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-1-phenylmethanesulfonamide;2-[(3-methylphenoxy)carbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-[(E)-2-phenylethenyl]sulfonylamino]acetic acid?
The IUPAC name of 2-[1,3-benzodioxol-5-ylmethoxycarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;N-ethyl-N-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-1-phenylmethanesulfonamide;2-[(3-methylphenoxy)carbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-[(E)-2-phenylethenyl]sulfonylamino]acetic acid (CID 157134138) is 2-[1,3-benzodioxol-5-ylmethoxycarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;N-ethyl-N-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-1-phenylmethanesulfonamide;2-[(3-methylphenoxy)carbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-[(E)-2-phenylethenyl]sulfonylamino]acetic acid.
What is the SMILES notation for 2-[1,3-benzodioxol-5-ylmethoxycarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;N-ethyl-N-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-1-phenylmethanesulfonamide;2-[(3-methylphenoxy)carbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-[(E)-2-phenylethenyl]sulfonylamino]acetic acid?
The canonical SMILES for 2-[1,3-benzodioxol-5-ylmethoxycarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;N-ethyl-N-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-1-phenylmethanesulfonamide;2-[(3-methylphenoxy)carbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-[(E)-2-phenylethenyl]sulfonylamino]acetic acid is CCN(Cc1cccc(OCCc2nc(-c3ccccc3)oc2C)c1)S(=O)(=O)Cc1ccccc1.Cc1cccc(OC(=O)N(CC(=O)O)Cc2ccc(OCCc3nc(-c4ccccc4)oc3C)cc2)c1.Cc1oc(-c2ccccc2)nc1CCOc1cccc(CN(CC(=O)O)C(=O)OCc2ccc3c(c2)OCO3)c1.Cc1oc(-c2ccccc2)nc1CCOc1cccc(CN(CC(=O)O)S(=O)(=O)/C=C/c2ccccc2)c1.
What is the InChIKey of 2-[1,3-benzodioxol-5-ylmethoxycarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;N-ethyl-N-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-1-phenylmethanesulfonamide;2-[(3-methylphenoxy)carbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-[(E)-2-phenylethenyl]sulfonylamino]acetic acid?
The InChIKey is AJKPHFSTLSHWEL-IUAIOOMLSA-N. The full InChI is InChI=1S/C30H28N2O8.C29H28N2O6S.C29H28N2O6.C28H30N2O4S/c1-20-25(31-29(40-20)23-7-3-2-4-8-23)12-13-36-24-9-5-6-21(14-24)16-32(17-28(33)34)30(35)37-18-22-10-11-26-27(15-22)39-19-38-26;1-22-27(30-29(37-22)25-12-6-3-7-13-25)15-17-36-26-14-8-11-24(19-26)20-31(21-28(32)33)38(34,35)18-16-23-9-4-2-5-10-23;1-20-7-6-10-25(17-20)37-29(34)31(19-27(32)33)18-22-11-13-24(14-12-22)35-16-15-26-21(2)36-28(30-26)23-8-4-3-5-9-23;1-3-30(35(31,32)21-23-11-6-4-7-12-23)20-24-13-10-16-26(19-24)33-18-17-27-22(2)34-28(29-27)25-14-8-5-9-15-25/h2-11,14-15H,12-13,16-19H2,1H3,(H,33,34);2-14,16,18-19H,15,17,20-21H2,1H3,(H,32,33);3-14,17H,15-16,18-19H2,1-2H3,(H,32,33);4-16,19H,3,17-18,20-21H2,1-2H3/b;18-16+;;.
What are the key properties of 2-[1,3-benzodioxol-5-ylmethoxycarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;N-ethyl-N-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-1-phenylmethanesulfonamide;2-[(3-methylphenoxy)carbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-[(E)-2-phenylethenyl]sulfonylamino]acetic acid?
2-[1,3-benzodioxol-5-ylmethoxycarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;N-ethyl-N-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-1-phenylmethanesulfonamide;2-[(3-methylphenoxy)carbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-[(E)-2-phenylethenyl]sulfonylamino]acetic acid has a molecular weight of 2068.35 g/mol, XLogP of 21.67, 44 rotatable bonds, 3 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,3-benzodioxol-5-ylmethoxycarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;N-ethyl-N-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-1-phenylmethanesulfonamide;2-[(3-methylphenoxy)carbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-[(E)-2-phenylethenyl]sulfonylamino]acetic acid is sourced from PubChem (CID 157134138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).