2-[(3,5-dichlorophenyl)carbamoyl-[[3-[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-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-(4-phenylmethoxyphenoxy)carbonylamino]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

C189H172Cl2F6N14O36 — CID 160637946

IUPAC2-[(3,5-dichlorophenyl)carbamoyl-[[3-[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-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-(4-phenylmethoxyphenoxy)carbonylamino]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)Oc2ccc(OCc3ccccc3)cc2)cc1.Cc1oc(-c2ccccc2)nc1CCOc1cccc(CN(CC(=O)O)C(=O)Nc2cc(Cl)cc(Cl)c2)c1.Cc1oc(-c2ccccc2)nc1CCOc1cccc(CN(CC(=O)O)C(=O)Oc2ccc(OC(F)(F)F)cc2)c1.Cc1oc(-c2ccccc2)nc1CCOc1cccc(CN(CC(=O)O)Cc2cccc(Oc3ccccc3)c2)n1
InChIInChI=1S/C35H32N2O7.C35H34N2O5.C33H31N3O5.2C29H25F3N2O7.C28H25Cl2N3O5/c1-25-32(36-34(43-25)28-10-6-3-7-11-28)20-21-41-29-14-12-26(13-15-29)22-37(23-33(38)39)35(40)44-31-18-16-30(17-19-31)42-24-27-8-4-2-5-9-27;1-26-33(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;1-18-25(32-27(38-18)20-7-3-2-4-8-20)10-11-37-24-9-5-6-19(12-24)16-33(17-26(34)35)28(36)31-23-14-21(29)13-22(30)15-23/h2-19H,20-24H2,1H3,(H,38,39);2-19H,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);2-9,12-15H,10-11,16-17H2,1H3,(H,31,36)(H,34,35)
InChIKeyRIUBTAICBSDJAD-UHFFFAOYSA-N
MW3400.41 g/mol
LogP39.88
Rot. Bonds72

About 2-[(3,5-dichlorophenyl)carbamoyl-[[3-[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-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-(4-phenylmethoxyphenoxy)carbonylamino]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-[(3,5-dichlorophenyl)carbamoyl-[[3-[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-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-(4-phenylmethoxyphenoxy)carbonylamino]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 160637946) has the molecular formula C189H172Cl2F6N14O36 and a molecular weight of 3400.41 g/mol. Its IUPAC name is 2-[(3,5-dichlorophenyl)carbamoyl-[[3-[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-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-(4-phenylmethoxyphenoxy)carbonylamino]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-[(3,5-dichlorophenyl)carbamoyl-[[3-[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-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-(4-phenylmethoxyphenoxy)carbonylamino]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 CID160637946
Molecular FormulaC189H172Cl2F6N14O36
Molecular Weight3400.41 g/mol
Exact Mass3397.13
IUPAC Name2-[(3,5-dichlorophenyl)carbamoyl-[[3-[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-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-(4-phenylmethoxyphenoxy)carbonylamino]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)Oc2ccc(OCc3ccccc3)cc2)cc1.Cc1oc(-c2ccccc2)nc1CCOc1cccc(CN(CC(=O)O)C(=O)Nc2cc(Cl)cc(Cl)c2)c1.Cc1oc(-c2ccccc2)nc1CCOc1cccc(CN(CC(=O)O)C(=O)Oc2ccc(OC(F)(F)F)cc2)c1.Cc1oc(-c2ccccc2)nc1CCOc1cccc(CN(CC(=O)O)Cc2cccc(Oc3ccccc3)c2)n1
InChIInChI=1S/C35H32N2O7.C35H34N2O5.C33H31N3O5.2C29H25F3N2O7.C28H25Cl2N3O5/c1-25-32(36-34(43-25)28-10-6-3-7-11-28)20-21-41-29-14-12-26(13-15-29)22-37(23-33(38)39)35(40)44-31-18-16-30(17-19-31)42-24-27-8-4-2-5-9-27;1-26-33(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;1-18-25(32-27(38-18)20-7-3-2-4-8-20)10-11-37-24-9-5-6-19(12-24)16-33(17-26(34)35)28(36)31-23-14-21(29)13-22(30)15-23/h2-19H,20-24H2,1H3,(H,38,39);2-19H,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);2-9,12-15H,10-11,16-17H2,1H3,(H,31,36)(H,34,35)
InChIKeyRIUBTAICBSDJAD-UHFFFAOYSA-N
XLogP39.88
TPSA621.84 Ų
H-Bond Donors7
H-Bond Acceptors39
Rotatable Bonds72
Heavy Atoms247
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003400.41
LogP ≤ 539.88
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1039

Analyze 2-[(3,5-dichlorophenyl)carbamoyl-[[3-[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-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-(4-phenylmethoxyphenoxy)carbonylamino]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-[(3,5-dichlorophenyl)carbamoyl-[[3-[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-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-(4-phenylmethoxyphenoxy)carbonylamino]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-[(3,5-dichlorophenyl)carbamoyl-[[3-[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-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-(4-phenylmethoxyphenoxy)carbonylamino]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 160637946) is 2-[(3,5-dichlorophenyl)carbamoyl-[[3-[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-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-(4-phenylmethoxyphenoxy)carbonylamino]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-[(3,5-dichlorophenyl)carbamoyl-[[3-[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-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-(4-phenylmethoxyphenoxy)carbonylamino]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-[(3,5-dichlorophenyl)carbamoyl-[[3-[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-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-(4-phenylmethoxyphenoxy)carbonylamino]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)Oc2ccc(OCc3ccccc3)cc2)cc1.Cc1oc(-c2ccccc2)nc1CCOc1cccc(CN(CC(=O)O)C(=O)Nc2cc(Cl)cc(Cl)c2)c1.Cc1oc(-c2ccccc2)nc1CCOc1cccc(CN(CC(=O)O)C(=O)Oc2ccc(OC(F)(F)F)cc2)c1.Cc1oc(-c2ccccc2)nc1CCOc1cccc(CN(CC(=O)O)Cc2cccc(Oc3ccccc3)c2)n1.
What is the InChIKey of 2-[(3,5-dichlorophenyl)carbamoyl-[[3-[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-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-(4-phenylmethoxyphenoxy)carbonylamino]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 RIUBTAICBSDJAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H32N2O7.C35H34N2O5.C33H31N3O5.2C29H25F3N2O7.C28H25Cl2N3O5/c1-25-32(36-34(43-25)28-10-6-3-7-11-28)20-21-41-29-14-12-26(13-15-29)22-37(23-33(38)39)35(40)44-31-18-16-30(17-19-31)42-24-27-8-4-2-5-9-27;1-26-33(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;1-18-25(32-27(38-18)20-7-3-2-4-8-20)10-11-37-24-9-5-6-19(12-24)16-33(17-26(34)35)28(36)31-23-14-21(29)13-22(30)15-23/h2-19H,20-24H2,1H3,(H,38,39);2-19H,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);2-9,12-15H,10-11,16-17H2,1H3,(H,31,36)(H,34,35).
What are the key properties of 2-[(3,5-dichlorophenyl)carbamoyl-[[3-[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-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-(4-phenylmethoxyphenoxy)carbonylamino]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-[(3,5-dichlorophenyl)carbamoyl-[[3-[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-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-(4-phenylmethoxyphenoxy)carbonylamino]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 3400.41 g/mol, XLogP of 39.88, 72 rotatable bonds, 7 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dichlorophenyl)carbamoyl-[[3-[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-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-(4-phenylmethoxyphenoxy)carbonylamino]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 160637946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).