2-[(3-chloro-5-methylphenoxy)carbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;1-cyclopenta-1,4-dien-1-yloxy-4-ethylbenzene;N-methyl-N-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]ethanamine;2-[(3-methylphenyl)methoxycarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[(3-methylphenyl)methoxycarbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;N-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]ethanamine;2-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-phenylmethoxycarbonylamino]acetic acid;2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-phenylmethoxycarbonylamino]acetic acid

C203H207ClN14O35 — CID 161077701

IUPAC2-[(3-chloro-5-methylphenoxy)carbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;1-cyclopenta-1,4-dien-1-yloxy-4-ethylbenzene;N-methyl-N-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]ethanamine;2-[(3-methylphenyl)methoxycarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[(3-methylphenyl)methoxycarbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;N-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]ethanamine;2-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-phenylmethoxycarbonylamino]acetic acid;2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-phenylmethoxycarbonylamino]acetic acid
SMILESCCN(C)Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1.CCNCc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1.CCc1ccc(OC2=CCC=C2)cc1.Cc1cc(Cl)cc(OC(=O)N(CC(=O)O)Cc2cccc(OCCc3nc(-c4ccccc4)oc3C)c2)c1.Cc1cccc(COC(=O)N(CC(=O)O)Cc2ccc(OCCc3nc(-c4ccccc4)oc3C)cc2)c1.Cc1cccc(COC(=O)N(CC(=O)O)Cc2cccc(OCCc3nc(-c4ccccc4)oc3C)c2)c1.Cc1oc(-c2ccccc2)nc1CCOc1ccc(CN(CC(=O)O)C(=O)OCc2ccccc2)cc1.Cc1oc(-c2ccccc2)nc1CCOc1cccc(CN(CC(=O)O)C(=O)OCc2ccccc2)c1
InChIInChI=1S/2C30H30N2O6.C29H27ClN2O6.2C29H28N2O6.C22H26N2O2.C21H24N2O2.C13H14O/c1-21-8-6-10-24(16-21)20-37-30(35)32(19-28(33)34)18-23-9-7-13-26(17-23)36-15-14-27-22(2)38-29(31-27)25-11-4-3-5-12-25;1-21-7-6-8-24(17-21)20-37-30(35)32(19-28(33)34)18-23-11-13-26(14-12-23)36-16-15-27-22(2)38-29(31-27)25-9-4-3-5-10-25;1-19-13-23(30)16-25(14-19)38-29(35)32(18-27(33)34)17-21-7-6-10-24(15-21)36-12-11-26-20(2)37-28(31-26)22-8-4-3-5-9-22;1-21-26(30-28(37-21)24-12-6-3-7-13-24)15-16-35-25-14-8-11-23(17-25)18-31(19-27(32)33)29(34)36-20-22-9-4-2-5-10-22;1-21-26(30-28(37-21)24-10-6-3-7-11-24)16-17-35-25-14-12-22(13-15-25)18-31(19-27(32)33)29(34)36-20-23-8-4-2-5-9-23;1-4-24(3)16-18-10-12-20(13-11-18)25-15-14-21-17(2)26-22(23-21)19-8-6-5-7-9-19;1-3-22-15-17-9-11-19(12-10-17)24-14-13-20-16(2)25-21(23-20)18-7-5-4-6-8-18;1-2-11-7-9-13(10-8-11)14-12-5-3-4-6-12/h3-13,16-17H,14-15,18-20H2,1-2H3,(H,33,34);3-14,17H,15-16,18-20H2,1-2H3,(H,33,34);3-10,13-16H,11-12,17-18H2,1-2H3,(H,33,34);2-14,17H,15-16,18-20H2,1H3,(H,32,33);2-15H,16-20H2,1H3,(H,32,33);5-13H,4,14-16H2,1-3H3;4-12,22H,3,13-15H2,1-2H3;3,5-10H,2,4H2,1H3
InChIKeyUFMRAEOEBHFRCU-UHFFFAOYSA-N
MW3438.40 g/mol
LogP41.49
Rot. Bonds73

About 2-[(3-chloro-5-methylphenoxy)carbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;1-cyclopenta-1,4-dien-1-yloxy-4-ethylbenzene;N-methyl-N-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]ethanamine;2-[(3-methylphenyl)methoxycarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[(3-methylphenyl)methoxycarbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;N-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]ethanamine;2-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-phenylmethoxycarbonylamino]acetic acid;2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-phenylmethoxycarbonylamino]acetic acid

2-[(3-chloro-5-methylphenoxy)carbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;1-cyclopenta-1,4-dien-1-yloxy-4-ethylbenzene;N-methyl-N-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]ethanamine;2-[(3-methylphenyl)methoxycarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[(3-methylphenyl)methoxycarbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;N-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]ethanamine;2-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-phenylmethoxycarbonylamino]acetic acid;2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-phenylmethoxycarbonylamino]acetic acid (PubChem CID 161077701) has the molecular formula C203H207ClN14O35 and a molecular weight of 3438.40 g/mol. Its IUPAC name is 2-[(3-chloro-5-methylphenoxy)carbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;1-cyclopenta-1,4-dien-1-yloxy-4-ethylbenzene;N-methyl-N-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]ethanamine;2-[(3-methylphenyl)methoxycarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[(3-methylphenyl)methoxycarbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;N-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]ethanamine;2-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-phenylmethoxycarbonylamino]acetic acid;2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-phenylmethoxycarbonylamino]acetic acid.

Molecular Properties

Compound Name2-[(3-chloro-5-methylphenoxy)carbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;1-cyclopenta-1,4-dien-1-yloxy-4-ethylbenzene;N-methyl-N-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]ethanamine;2-[(3-methylphenyl)methoxycarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[(3-methylphenyl)methoxycarbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;N-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]ethanamine;2-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-phenylmethoxycarbonylamino]acetic acid;2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-phenylmethoxycarbonylamino]acetic acid
PubChem CID161077701
Molecular FormulaC203H207ClN14O35
Molecular Weight3438.40 g/mol
Exact Mass3435.45
IUPAC Name2-[(3-chloro-5-methylphenoxy)carbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;1-cyclopenta-1,4-dien-1-yloxy-4-ethylbenzene;N-methyl-N-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]ethanamine;2-[(3-methylphenyl)methoxycarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[(3-methylphenyl)methoxycarbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;N-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]ethanamine;2-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-phenylmethoxycarbonylamino]acetic acid;2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-phenylmethoxycarbonylamino]acetic acid
SMILESCCN(C)Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1.CCNCc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1.CCc1ccc(OC2=CCC=C2)cc1.Cc1cc(Cl)cc(OC(=O)N(CC(=O)O)Cc2cccc(OCCc3nc(-c4ccccc4)oc3C)c2)c1.Cc1cccc(COC(=O)N(CC(=O)O)Cc2ccc(OCCc3nc(-c4ccccc4)oc3C)cc2)c1.Cc1cccc(COC(=O)N(CC(=O)O)Cc2cccc(OCCc3nc(-c4ccccc4)oc3C)c2)c1.Cc1oc(-c2ccccc2)nc1CCOc1ccc(CN(CC(=O)O)C(=O)OCc2ccccc2)cc1.Cc1oc(-c2ccccc2)nc1CCOc1cccc(CN(CC(=O)O)C(=O)OCc2ccccc2)c1
InChIInChI=1S/2C30H30N2O6.C29H27ClN2O6.2C29H28N2O6.C22H26N2O2.C21H24N2O2.C13H14O/c1-21-8-6-10-24(16-21)20-37-30(35)32(19-28(33)34)18-23-9-7-13-26(17-23)36-15-14-27-22(2)38-29(31-27)25-11-4-3-5-12-25;1-21-7-6-8-24(17-21)20-37-30(35)32(19-28(33)34)18-23-11-13-26(14-12-23)36-16-15-27-22(2)38-29(31-27)25-9-4-3-5-10-25;1-19-13-23(30)16-25(14-19)38-29(35)32(18-27(33)34)17-21-7-6-10-24(15-21)36-12-11-26-20(2)37-28(31-26)22-8-4-3-5-9-22;1-21-26(30-28(37-21)24-12-6-3-7-13-24)15-16-35-25-14-8-11-23(17-25)18-31(19-27(32)33)29(34)36-20-22-9-4-2-5-10-22;1-21-26(30-28(37-21)24-10-6-3-7-11-24)16-17-35-25-14-12-22(13-15-25)18-31(19-27(32)33)29(34)36-20-23-8-4-2-5-9-23;1-4-24(3)16-18-10-12-20(13-11-18)25-15-14-21-17(2)26-22(23-21)19-8-6-5-7-9-19;1-3-22-15-17-9-11-19(12-10-17)24-14-13-20-16(2)25-21(23-20)18-7-5-4-6-8-18;1-2-11-7-9-13(10-8-11)14-12-5-3-4-6-12/h3-13,16-17H,14-15,18-20H2,1-2H3,(H,33,34);3-14,17H,15-16,18-20H2,1-2H3,(H,33,34);3-10,13-16H,11-12,17-18H2,1-2H3,(H,33,34);2-14,17H,15-16,18-20H2,1H3,(H,32,33);2-15H,16-20H2,1H3,(H,32,33);5-13H,4,14-16H2,1-3H3;4-12,22H,3,13-15H2,1-2H3;3,5-10H,2,4H2,1H3
InChIKeyUFMRAEOEBHFRCU-UHFFFAOYSA-N
XLogP41.49
TPSA605.52 Ų
H-Bond Donors6
H-Bond Acceptors39
Rotatable Bonds73
Heavy Atoms253
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003438.40
LogP ≤ 541.49
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1039

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze 2-[(3-chloro-5-methylphenoxy)carbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;1-cyclopenta-1,4-dien-1-yloxy-4-ethylbenzene;N-methyl-N-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]ethanamine;2-[(3-methylphenyl)methoxycarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[(3-methylphenyl)methoxycarbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;N-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]ethanamine;2-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-phenylmethoxycarbonylamino]acetic acid;2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-phenylmethoxycarbonylamino]acetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-5-methylphenoxy)carbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;1-cyclopenta-1,4-dien-1-yloxy-4-ethylbenzene;N-methyl-N-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]ethanamine;2-[(3-methylphenyl)methoxycarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[(3-methylphenyl)methoxycarbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;N-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]ethanamine;2-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-phenylmethoxycarbonylamino]acetic acid;2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-phenylmethoxycarbonylamino]acetic acid?
The IUPAC name of 2-[(3-chloro-5-methylphenoxy)carbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;1-cyclopenta-1,4-dien-1-yloxy-4-ethylbenzene;N-methyl-N-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]ethanamine;2-[(3-methylphenyl)methoxycarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[(3-methylphenyl)methoxycarbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;N-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]ethanamine;2-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-phenylmethoxycarbonylamino]acetic acid;2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-phenylmethoxycarbonylamino]acetic acid (CID 161077701) is 2-[(3-chloro-5-methylphenoxy)carbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;1-cyclopenta-1,4-dien-1-yloxy-4-ethylbenzene;N-methyl-N-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]ethanamine;2-[(3-methylphenyl)methoxycarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[(3-methylphenyl)methoxycarbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;N-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]ethanamine;2-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-phenylmethoxycarbonylamino]acetic acid;2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-phenylmethoxycarbonylamino]acetic acid.
What is the SMILES notation for 2-[(3-chloro-5-methylphenoxy)carbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;1-cyclopenta-1,4-dien-1-yloxy-4-ethylbenzene;N-methyl-N-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]ethanamine;2-[(3-methylphenyl)methoxycarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[(3-methylphenyl)methoxycarbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;N-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]ethanamine;2-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-phenylmethoxycarbonylamino]acetic acid;2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-phenylmethoxycarbonylamino]acetic acid?
The canonical SMILES for 2-[(3-chloro-5-methylphenoxy)carbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;1-cyclopenta-1,4-dien-1-yloxy-4-ethylbenzene;N-methyl-N-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]ethanamine;2-[(3-methylphenyl)methoxycarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[(3-methylphenyl)methoxycarbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;N-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]ethanamine;2-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-phenylmethoxycarbonylamino]acetic acid;2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-phenylmethoxycarbonylamino]acetic acid is CCN(C)Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1.CCNCc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1.CCc1ccc(OC2=CCC=C2)cc1.Cc1cc(Cl)cc(OC(=O)N(CC(=O)O)Cc2cccc(OCCc3nc(-c4ccccc4)oc3C)c2)c1.Cc1cccc(COC(=O)N(CC(=O)O)Cc2ccc(OCCc3nc(-c4ccccc4)oc3C)cc2)c1.Cc1cccc(COC(=O)N(CC(=O)O)Cc2cccc(OCCc3nc(-c4ccccc4)oc3C)c2)c1.Cc1oc(-c2ccccc2)nc1CCOc1ccc(CN(CC(=O)O)C(=O)OCc2ccccc2)cc1.Cc1oc(-c2ccccc2)nc1CCOc1cccc(CN(CC(=O)O)C(=O)OCc2ccccc2)c1.
What is the InChIKey of 2-[(3-chloro-5-methylphenoxy)carbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;1-cyclopenta-1,4-dien-1-yloxy-4-ethylbenzene;N-methyl-N-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]ethanamine;2-[(3-methylphenyl)methoxycarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[(3-methylphenyl)methoxycarbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;N-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]ethanamine;2-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-phenylmethoxycarbonylamino]acetic acid;2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-phenylmethoxycarbonylamino]acetic acid?
The InChIKey is UFMRAEOEBHFRCU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C30H30N2O6.C29H27ClN2O6.2C29H28N2O6.C22H26N2O2.C21H24N2O2.C13H14O/c1-21-8-6-10-24(16-21)20-37-30(35)32(19-28(33)34)18-23-9-7-13-26(17-23)36-15-14-27-22(2)38-29(31-27)25-11-4-3-5-12-25;1-21-7-6-8-24(17-21)20-37-30(35)32(19-28(33)34)18-23-11-13-26(14-12-23)36-16-15-27-22(2)38-29(31-27)25-9-4-3-5-10-25;1-19-13-23(30)16-25(14-19)38-29(35)32(18-27(33)34)17-21-7-6-10-24(15-21)36-12-11-26-20(2)37-28(31-26)22-8-4-3-5-9-22;1-21-26(30-28(37-21)24-12-6-3-7-13-24)15-16-35-25-14-8-11-23(17-25)18-31(19-27(32)33)29(34)36-20-22-9-4-2-5-10-22;1-21-26(30-28(37-21)24-10-6-3-7-11-24)16-17-35-25-14-12-22(13-15-25)18-31(19-27(32)33)29(34)36-20-23-8-4-2-5-9-23;1-4-24(3)16-18-10-12-20(13-11-18)25-15-14-21-17(2)26-22(23-21)19-8-6-5-7-9-19;1-3-22-15-17-9-11-19(12-10-17)24-14-13-20-16(2)25-21(23-20)18-7-5-4-6-8-18;1-2-11-7-9-13(10-8-11)14-12-5-3-4-6-12/h3-13,16-17H,14-15,18-20H2,1-2H3,(H,33,34);3-14,17H,15-16,18-20H2,1-2H3,(H,33,34);3-10,13-16H,11-12,17-18H2,1-2H3,(H,33,34);2-14,17H,15-16,18-20H2,1H3,(H,32,33);2-15H,16-20H2,1H3,(H,32,33);5-13H,4,14-16H2,1-3H3;4-12,22H,3,13-15H2,1-2H3;3,5-10H,2,4H2,1H3.
What are the key properties of 2-[(3-chloro-5-methylphenoxy)carbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;1-cyclopenta-1,4-dien-1-yloxy-4-ethylbenzene;N-methyl-N-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]ethanamine;2-[(3-methylphenyl)methoxycarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[(3-methylphenyl)methoxycarbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;N-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]ethanamine;2-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-phenylmethoxycarbonylamino]acetic acid;2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-phenylmethoxycarbonylamino]acetic acid?
2-[(3-chloro-5-methylphenoxy)carbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;1-cyclopenta-1,4-dien-1-yloxy-4-ethylbenzene;N-methyl-N-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]ethanamine;2-[(3-methylphenyl)methoxycarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[(3-methylphenyl)methoxycarbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;N-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]ethanamine;2-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-phenylmethoxycarbonylamino]acetic acid;2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-phenylmethoxycarbonylamino]acetic acid has a molecular weight of 3438.40 g/mol, XLogP of 41.49, 73 rotatable bonds, 6 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-5-methylphenoxy)carbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;1-cyclopenta-1,4-dien-1-yloxy-4-ethylbenzene;N-methyl-N-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]ethanamine;2-[(3-methylphenyl)methoxycarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[(3-methylphenyl)methoxycarbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;N-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]ethanamine;2-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-phenylmethoxycarbonylamino]acetic acid;2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-phenylmethoxycarbonylamino]acetic acid is sourced from PubChem (CID 161077701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).