2-[1,3-benzodioxol-5-yloxycarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[1,3-benzodioxol-5-yloxycarbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[2-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethyl-[(4-phenoxyphenyl)methyl]amino]acetic acid;2-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-[4-(trifluoromethoxy)phenoxy]carbonylamino]acetic acid;2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-[4-(trifluoromethoxy)phenoxy]carbonylamino]acetic acid;2-[[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2-pyridinyl]methyl-[(3-phenoxyphenyl)methyl]amino]acetic acid

C184H167F6N13O40 — CID 158731188

IUPAC2-[1,3-benzodioxol-5-yloxycarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[1,3-benzodioxol-5-yloxycarbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[2-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethyl-[(4-phenoxyphenyl)methyl]amino]acetic acid;2-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-[4-(trifluoromethoxy)phenoxy]carbonylamino]acetic acid;2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-[4-(trifluoromethoxy)phenoxy]carbonylamino]acetic acid;2-[[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2-pyridinyl]methyl-[(3-phenoxyphenyl)methyl]amino]acetic acid
SMILESCc1oc(-c2ccccc2)nc1CCOc1ccc(CCN(CC(=O)O)Cc2ccc(Oc3ccccc3)cc2)cc1.Cc1oc(-c2ccccc2)nc1CCOc1ccc(CN(CC(=O)O)C(=O)Oc2ccc(OC(F)(F)F)cc2)cc1.Cc1oc(-c2ccccc2)nc1CCOc1ccc(CN(CC(=O)O)C(=O)Oc2ccc3c(c2)OCO3)cc1.Cc1oc(-c2ccccc2)nc1CCOc1cccc(CN(CC(=O)O)C(=O)Oc2ccc(OC(F)(F)F)cc2)c1.Cc1oc(-c2ccccc2)nc1CCOc1cccc(CN(CC(=O)O)C(=O)Oc2ccc3c(c2)OCO3)c1.Cc1oc(-c2ccccc2)nc1CCOc1cccc(CN(CC(=O)O)Cc2cccc(Oc3ccccc3)c2)n1
InChIInChI=1S/C35H34N2O5.C33H31N3O5.2C29H25F3N2O7.2C29H26N2O8/c1-26-33(36-35(41-26)29-8-4-2-5-9-29)21-23-40-30-16-12-27(13-17-30)20-22-37(25-34(38)39)24-28-14-18-32(19-15-28)42-31-10-6-3-7-11-31;1-24-30(35-33(40-24)26-11-4-2-5-12-26)18-19-39-31-17-9-13-27(34-31)22-36(23-32(37)38)21-25-10-8-16-29(20-25)41-28-14-6-3-7-15-28;1-19-25(33-27(39-19)21-7-3-2-4-8-21)14-15-38-24-9-5-6-20(16-24)17-34(18-26(35)36)28(37)40-22-10-12-23(13-11-22)41-29(30,31)32;1-19-25(33-27(39-19)21-5-3-2-4-6-21)15-16-38-22-9-7-20(8-10-22)17-34(18-26(35)36)28(37)40-23-11-13-24(14-12-23)41-29(30,31)32;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;1-19-24(30-28(38-19)21-5-3-2-4-6-21)13-14-35-22-9-7-20(8-10-22)16-31(17-27(32)33)29(34)39-23-11-12-25-26(15-23)37-18-36-25/h2-19H,20-25H2,1H3,(H,38,39);2-17,20H,18-19,21-23H2,1H3,(H,37,38);2-13,16H,14-15,17-18H2,1H3,(H,35,36);2-14H,15-18H2,1H3,(H,35,36);2-11,14-15H,12-13,16-18H2,1H3,(H,32,33);2-12,15H,13-14,16-18H2,1H3,(H,32,33)
InChIKeyILCSACAANZOIKW-UHFFFAOYSA-N
MW3314.40 g/mol
LogP36.42
Rot. Bonds69

About 2-[1,3-benzodioxol-5-yloxycarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[1,3-benzodioxol-5-yloxycarbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[2-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethyl-[(4-phenoxyphenyl)methyl]amino]acetic acid;2-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-[4-(trifluoromethoxy)phenoxy]carbonylamino]acetic acid;2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-[4-(trifluoromethoxy)phenoxy]carbonylamino]acetic acid;2-[[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2-pyridinyl]methyl-[(3-phenoxyphenyl)methyl]amino]acetic acid

2-[1,3-benzodioxol-5-yloxycarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[1,3-benzodioxol-5-yloxycarbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[2-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethyl-[(4-phenoxyphenyl)methyl]amino]acetic acid;2-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-[4-(trifluoromethoxy)phenoxy]carbonylamino]acetic acid;2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-[4-(trifluoromethoxy)phenoxy]carbonylamino]acetic acid;2-[[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2-pyridinyl]methyl-[(3-phenoxyphenyl)methyl]amino]acetic acid (PubChem CID 158731188) has the molecular formula C184H167F6N13O40 and a molecular weight of 3314.40 g/mol. Its IUPAC name is 2-[1,3-benzodioxol-5-yloxycarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[1,3-benzodioxol-5-yloxycarbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[2-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethyl-[(4-phenoxyphenyl)methyl]amino]acetic acid;2-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-[4-(trifluoromethoxy)phenoxy]carbonylamino]acetic acid;2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-[4-(trifluoromethoxy)phenoxy]carbonylamino]acetic acid;2-[[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2-pyridinyl]methyl-[(3-phenoxyphenyl)methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[1,3-benzodioxol-5-yloxycarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[1,3-benzodioxol-5-yloxycarbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[2-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethyl-[(4-phenoxyphenyl)methyl]amino]acetic acid;2-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-[4-(trifluoromethoxy)phenoxy]carbonylamino]acetic acid;2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-[4-(trifluoromethoxy)phenoxy]carbonylamino]acetic acid;2-[[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2-pyridinyl]methyl-[(3-phenoxyphenyl)methyl]amino]acetic acid
PubChem CID158731188
Molecular FormulaC184H167F6N13O40
Molecular Weight3314.40 g/mol
Exact Mass3312.13
IUPAC Name2-[1,3-benzodioxol-5-yloxycarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[1,3-benzodioxol-5-yloxycarbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[2-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethyl-[(4-phenoxyphenyl)methyl]amino]acetic acid;2-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-[4-(trifluoromethoxy)phenoxy]carbonylamino]acetic acid;2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-[4-(trifluoromethoxy)phenoxy]carbonylamino]acetic acid;2-[[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2-pyridinyl]methyl-[(3-phenoxyphenyl)methyl]amino]acetic acid
SMILESCc1oc(-c2ccccc2)nc1CCOc1ccc(CCN(CC(=O)O)Cc2ccc(Oc3ccccc3)cc2)cc1.Cc1oc(-c2ccccc2)nc1CCOc1ccc(CN(CC(=O)O)C(=O)Oc2ccc(OC(F)(F)F)cc2)cc1.Cc1oc(-c2ccccc2)nc1CCOc1ccc(CN(CC(=O)O)C(=O)Oc2ccc3c(c2)OCO3)cc1.Cc1oc(-c2ccccc2)nc1CCOc1cccc(CN(CC(=O)O)C(=O)Oc2ccc(OC(F)(F)F)cc2)c1.Cc1oc(-c2ccccc2)nc1CCOc1cccc(CN(CC(=O)O)C(=O)Oc2ccc3c(c2)OCO3)c1.Cc1oc(-c2ccccc2)nc1CCOc1cccc(CN(CC(=O)O)Cc2cccc(Oc3ccccc3)c2)n1
InChIInChI=1S/C35H34N2O5.C33H31N3O5.2C29H25F3N2O7.2C29H26N2O8/c1-26-33(36-35(41-26)29-8-4-2-5-9-29)21-23-40-30-16-12-27(13-17-30)20-22-37(25-34(38)39)24-28-14-18-32(19-15-28)42-31-10-6-3-7-11-31;1-24-30(35-33(40-24)26-11-4-2-5-12-26)18-19-39-31-17-9-13-27(34-31)22-36(23-32(37)38)21-25-10-8-16-29(20-25)41-28-14-6-3-7-15-28;1-19-25(33-27(39-19)21-7-3-2-4-8-21)14-15-38-24-9-5-6-20(16-24)17-34(18-26(35)36)28(37)40-22-10-12-23(13-11-22)41-29(30,31)32;1-19-25(33-27(39-19)21-5-3-2-4-6-21)15-16-38-22-9-7-20(8-10-22)17-34(18-26(35)36)28(37)40-23-11-13-24(14-12-23)41-29(30,31)32;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;1-19-24(30-28(38-19)21-5-3-2-4-6-21)13-14-35-22-9-7-20(8-10-22)16-31(17-27(32)33)29(34)39-23-11-12-25-26(15-23)37-18-36-25/h2-19H,20-25H2,1H3,(H,38,39);2-17,20H,18-19,21-23H2,1H3,(H,37,38);2-13,16H,14-15,17-18H2,1H3,(H,35,36);2-14H,15-18H2,1H3,(H,35,36);2-11,14-15H,12-13,16-18H2,1H3,(H,32,33);2-12,15H,13-14,16-18H2,1H3,(H,32,33)
InChIKeyILCSACAANZOIKW-UHFFFAOYSA-N
XLogP36.42
TPSA646.73 Ų
H-Bond Donors6
H-Bond Acceptors43
Rotatable Bonds69
Heavy Atoms243
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003314.40
LogP ≤ 536.42
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1043

Analyze 2-[1,3-benzodioxol-5-yloxycarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[1,3-benzodioxol-5-yloxycarbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[2-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethyl-[(4-phenoxyphenyl)methyl]amino]acetic acid;2-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-[4-(trifluoromethoxy)phenoxy]carbonylamino]acetic acid;2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-[4-(trifluoromethoxy)phenoxy]carbonylamino]acetic acid;2-[[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2-pyridinyl]methyl-[(3-phenoxyphenyl)methyl]amino]acetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[1,3-benzodioxol-5-yloxycarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[1,3-benzodioxol-5-yloxycarbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[2-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethyl-[(4-phenoxyphenyl)methyl]amino]acetic acid;2-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-[4-(trifluoromethoxy)phenoxy]carbonylamino]acetic acid;2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-[4-(trifluoromethoxy)phenoxy]carbonylamino]acetic acid;2-[[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2-pyridinyl]methyl-[(3-phenoxyphenyl)methyl]amino]acetic acid?
The IUPAC name of 2-[1,3-benzodioxol-5-yloxycarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[1,3-benzodioxol-5-yloxycarbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[2-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethyl-[(4-phenoxyphenyl)methyl]amino]acetic acid;2-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-[4-(trifluoromethoxy)phenoxy]carbonylamino]acetic acid;2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-[4-(trifluoromethoxy)phenoxy]carbonylamino]acetic acid;2-[[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2-pyridinyl]methyl-[(3-phenoxyphenyl)methyl]amino]acetic acid (CID 158731188) is 2-[1,3-benzodioxol-5-yloxycarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[1,3-benzodioxol-5-yloxycarbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[2-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethyl-[(4-phenoxyphenyl)methyl]amino]acetic acid;2-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-[4-(trifluoromethoxy)phenoxy]carbonylamino]acetic acid;2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-[4-(trifluoromethoxy)phenoxy]carbonylamino]acetic acid;2-[[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2-pyridinyl]methyl-[(3-phenoxyphenyl)methyl]amino]acetic acid.
What is the SMILES notation for 2-[1,3-benzodioxol-5-yloxycarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[1,3-benzodioxol-5-yloxycarbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[2-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethyl-[(4-phenoxyphenyl)methyl]amino]acetic acid;2-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-[4-(trifluoromethoxy)phenoxy]carbonylamino]acetic acid;2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-[4-(trifluoromethoxy)phenoxy]carbonylamino]acetic acid;2-[[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2-pyridinyl]methyl-[(3-phenoxyphenyl)methyl]amino]acetic acid?
The canonical SMILES for 2-[1,3-benzodioxol-5-yloxycarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[1,3-benzodioxol-5-yloxycarbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[2-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethyl-[(4-phenoxyphenyl)methyl]amino]acetic acid;2-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-[4-(trifluoromethoxy)phenoxy]carbonylamino]acetic acid;2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-[4-(trifluoromethoxy)phenoxy]carbonylamino]acetic acid;2-[[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2-pyridinyl]methyl-[(3-phenoxyphenyl)methyl]amino]acetic acid is Cc1oc(-c2ccccc2)nc1CCOc1ccc(CCN(CC(=O)O)Cc2ccc(Oc3ccccc3)cc2)cc1.Cc1oc(-c2ccccc2)nc1CCOc1ccc(CN(CC(=O)O)C(=O)Oc2ccc(OC(F)(F)F)cc2)cc1.Cc1oc(-c2ccccc2)nc1CCOc1ccc(CN(CC(=O)O)C(=O)Oc2ccc3c(c2)OCO3)cc1.Cc1oc(-c2ccccc2)nc1CCOc1cccc(CN(CC(=O)O)C(=O)Oc2ccc(OC(F)(F)F)cc2)c1.Cc1oc(-c2ccccc2)nc1CCOc1cccc(CN(CC(=O)O)C(=O)Oc2ccc3c(c2)OCO3)c1.Cc1oc(-c2ccccc2)nc1CCOc1cccc(CN(CC(=O)O)Cc2cccc(Oc3ccccc3)c2)n1.
What is the InChIKey of 2-[1,3-benzodioxol-5-yloxycarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[1,3-benzodioxol-5-yloxycarbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[2-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethyl-[(4-phenoxyphenyl)methyl]amino]acetic acid;2-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-[4-(trifluoromethoxy)phenoxy]carbonylamino]acetic acid;2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-[4-(trifluoromethoxy)phenoxy]carbonylamino]acetic acid;2-[[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2-pyridinyl]methyl-[(3-phenoxyphenyl)methyl]amino]acetic acid?
The InChIKey is ILCSACAANZOIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H34N2O5.C33H31N3O5.2C29H25F3N2O7.2C29H26N2O8/c1-26-33(36-35(41-26)29-8-4-2-5-9-29)21-23-40-30-16-12-27(13-17-30)20-22-37(25-34(38)39)24-28-14-18-32(19-15-28)42-31-10-6-3-7-11-31;1-24-30(35-33(40-24)26-11-4-2-5-12-26)18-19-39-31-17-9-13-27(34-31)22-36(23-32(37)38)21-25-10-8-16-29(20-25)41-28-14-6-3-7-15-28;1-19-25(33-27(39-19)21-7-3-2-4-8-21)14-15-38-24-9-5-6-20(16-24)17-34(18-26(35)36)28(37)40-22-10-12-23(13-11-22)41-29(30,31)32;1-19-25(33-27(39-19)21-5-3-2-4-6-21)15-16-38-22-9-7-20(8-10-22)17-34(18-26(35)36)28(37)40-23-11-13-24(14-12-23)41-29(30,31)32;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;1-19-24(30-28(38-19)21-5-3-2-4-6-21)13-14-35-22-9-7-20(8-10-22)16-31(17-27(32)33)29(34)39-23-11-12-25-26(15-23)37-18-36-25/h2-19H,20-25H2,1H3,(H,38,39);2-17,20H,18-19,21-23H2,1H3,(H,37,38);2-13,16H,14-15,17-18H2,1H3,(H,35,36);2-14H,15-18H2,1H3,(H,35,36);2-11,14-15H,12-13,16-18H2,1H3,(H,32,33);2-12,15H,13-14,16-18H2,1H3,(H,32,33).
What are the key properties of 2-[1,3-benzodioxol-5-yloxycarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[1,3-benzodioxol-5-yloxycarbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[2-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethyl-[(4-phenoxyphenyl)methyl]amino]acetic acid;2-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-[4-(trifluoromethoxy)phenoxy]carbonylamino]acetic acid;2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-[4-(trifluoromethoxy)phenoxy]carbonylamino]acetic acid;2-[[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2-pyridinyl]methyl-[(3-phenoxyphenyl)methyl]amino]acetic acid?
2-[1,3-benzodioxol-5-yloxycarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[1,3-benzodioxol-5-yloxycarbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[2-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethyl-[(4-phenoxyphenyl)methyl]amino]acetic acid;2-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-[4-(trifluoromethoxy)phenoxy]carbonylamino]acetic acid;2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-[4-(trifluoromethoxy)phenoxy]carbonylamino]acetic acid;2-[[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2-pyridinyl]methyl-[(3-phenoxyphenyl)methyl]amino]acetic acid has a molecular weight of 3314.40 g/mol, XLogP of 36.42, 69 rotatable bonds, 6 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,3-benzodioxol-5-yloxycarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[1,3-benzodioxol-5-yloxycarbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[2-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethyl-[(4-phenoxyphenyl)methyl]amino]acetic acid;2-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-[4-(trifluoromethoxy)phenoxy]carbonylamino]acetic acid;2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-[4-(trifluoromethoxy)phenoxy]carbonylamino]acetic acid;2-[[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2-pyridinyl]methyl-[(3-phenoxyphenyl)methyl]amino]acetic acid is sourced from PubChem (CID 158731188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).