2-[3-[[4-(cyclopropylmethoxymethyl)-5-(4-methylphenyl)-1,2-oxazol-3-yl]methylsulfanyl]phenyl]acetic acid;[1-ethoxy-2-[4-[2-(4-methylsulfonyloxyphenyl)ethoxy]phenyl]ethyl] formate;5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]methyl]-1,3-thiazolidine-2,4-dione;2-[(4-methoxyphenoxy)carbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;5-[[4-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;hydrochloride

C151H150ClFN12O31S6 — CID 158301287

About 2-[3-[[4-(cyclopropylmethoxymethyl)-5-(4-methylphenyl)-1,2-oxazol-3-yl]methylsulfanyl]phenyl]acetic acid;[1-ethoxy-2-[4-[2-(4-methylsulfonyloxyphenyl)ethoxy]phenyl]ethyl] formate;5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]methyl]-1,3-thiazolidine-2,4-dione;2-[(4-methoxyphenoxy)carbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;5-[[4-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;hydrochloride

2-[3-[[4-(cyclopropylmethoxymethyl)-5-(4-methylphenyl)-1,2-oxazol-3-yl]methylsulfanyl]phenyl]acetic acid;[1-ethoxy-2-[4-[2-(4-methylsulfonyloxyphenyl)ethoxy]phenyl]ethyl] formate;5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]methyl]-1,3-thiazolidine-2,4-dione;2-[(4-methoxyphenoxy)carbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;5-[[4-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;hydrochloride (PubChem CID 158301287) has the molecular formula C151H150ClFN12O31S6 and a molecular weight of 2875.77 g/mol. Its IUPAC name is 2-[3-[[4-(cyclopropylmethoxymethyl)-5-(4-methylphenyl)-1,2-oxazol-3-yl]methylsulfanyl]phenyl]acetic acid;[1-ethoxy-2-[4-[2-(4-methylsulfonyloxyphenyl)ethoxy]phenyl]ethyl] formate;5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]methyl]-1,3-thiazolidine-2,4-dione;2-[(4-methoxyphenoxy)carbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;5-[[4-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;hydrochloride.

Molecular Properties

• Compound Name: 2-[3-[[4-(cyclopropylmethoxymethyl)-5-(4-methylphenyl)-1,2-oxazol-3-yl]methylsulfanyl]phenyl]acetic acid;[1-ethoxy-2-[4-[2-(4-methylsulfonyloxyphenyl)ethoxy]phenyl]ethyl] formate;5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]methyl]-1,3-thiazolidine-2,4-dione;2-[(4-methoxyphenoxy)carbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;5-[[4-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;hydrochloride
• PubChem CID: 158301287
• Molecular Formula: C151H150ClFN12O31S6
• Molecular Weight: 2875.77 g/mol
• Exact Mass: 2872.85
• IUPAC Name: 2-[3-[[4-(cyclopropylmethoxymethyl)-5-(4-methylphenyl)-1,2-oxazol-3-yl]methylsulfanyl]phenyl]acetic acid;[1-ethoxy-2-[4-[2-(4-methylsulfonyloxyphenyl)ethoxy]phenyl]ethyl] formate;5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]methyl]-1,3-thiazolidine-2,4-dione;2-[(4-methoxyphenoxy)carbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;5-[[4-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;hydrochloride
• SMILES: CCOC(Cc1ccc(OCCc2ccc(OS(C)(=O)=O)cc2)cc1)OC=O.CCc1ccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc1.CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1.COc1ccc(OC(=O)N(CC(=O)O)Cc2ccc(OCCc3nc(-c4ccccc4)oc3C)cc2)cc1.Cc1ccc(-c2onc(CSc3cccc(CC(=O)O)c3)c2COCC2CC2)cc1.Cl.Cn1c(COc2ccc(CC3SC(=O)NC3=O)cc2)nc2ccccc2c1=O.O=C1NC(=O)C(Cc2ccc3cc(OCc4ccccc4F)ccc3c2)S1
• InChI: InChI=1S/C29H28N2O7.C24H25NO4S.C21H16FNO3S.C20H17N3O4S.C20H24O7S.C19H20N2O3S.C18H19N3O3S.ClH/c1-20-26(30-28(37-20)22-6-4-3-5-7-22)16-17-36-24-10-8-21(9-11-24)18-31(19-27(32)33)29(34)38-25-14-12-23(35-2)13-15-25;1-16-5-9-19(10-6-16)24-21(14-28-13-17-7-8-17)22(25-29-24)15-30-20-4-2-3-18(11-20)12-23(26)27;22-18-4-2-1-3-16(18)12-26-17-8-7-14-9-13(5-6-15(14)11-17)10-19-20(24)23-21(25)27-19;1-23-17(21-15-5-3-2-4-14(15)19(23)25)11-27-13-8-6-12(7-9-13)10-16-18(24)22-20(26)28-16;1-3-24-20(26-15-21)14-17-6-8-18(9-7-17)25-13-12-16-4-10-19(11-5-16)27-28(2,22)23;1-2-13-3-6-15(20-12-13)9-10-24-16-7-4-14(5-8-16)11-17-18(22)21-19(23)25-17;1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15;/h3-15H,16-19H2,1-2H3,(H,32,33);2-6,9-11,17H,7-8,12-15H2,1H3,(H,26,27);1-9,11,19H,10,12H2,(H,23,24,25);2-9,16H,10-11H2,1H3,(H,22,24,26);4-11,15,20H,3,12-14H2,1-2H3;3-8,12,17H,2,9-11H2,1H3,(H,21,22,23);2-9,15H,10-12H2,1H3,(H,20,22,23);1H
• InChIKey: JQMMXUUPEAOWOH-UHFFFAOYSA-N
• XLogP: 26.52
• TPSA: 557.53 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 41
• Rotatable Bonds: 57
• Heavy Atoms: 202
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2875.77
LogP ≤ 5	26.52
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[4-(cyclopropylmethoxymethyl)-5-(4-methylphenyl)-1,2-oxazol-3-yl]methylsulfanyl]phenyl]acetic acid;[1-ethoxy-2-[4-[2-(4-methylsulfonyloxyphenyl)ethoxy]phenyl]ethyl] formate;5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]methyl]-1,3-thiazolidine-2,4-dione;2-[(4-methoxyphenoxy)carbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;5-[[4-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;hydrochloride?

The IUPAC name of 2-[3-[[4-(cyclopropylmethoxymethyl)-5-(4-methylphenyl)-1,2-oxazol-3-yl]methylsulfanyl]phenyl]acetic acid;[1-ethoxy-2-[4-[2-(4-methylsulfonyloxyphenyl)ethoxy]phenyl]ethyl] formate;5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]methyl]-1,3-thiazolidine-2,4-dione;2-[(4-methoxyphenoxy)carbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;5-[[4-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;hydrochloride (CID 158301287) is 2-[3-[[4-(cyclopropylmethoxymethyl)-5-(4-methylphenyl)-1,2-oxazol-3-yl]methylsulfanyl]phenyl]acetic acid;[1-ethoxy-2-[4-[2-(4-methylsulfonyloxyphenyl)ethoxy]phenyl]ethyl] formate;5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]methyl]-1,3-thiazolidine-2,4-dione;2-[(4-methoxyphenoxy)carbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;5-[[4-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;hydrochloride.

What is the SMILES notation for 2-[3-[[4-(cyclopropylmethoxymethyl)-5-(4-methylphenyl)-1,2-oxazol-3-yl]methylsulfanyl]phenyl]acetic acid;[1-ethoxy-2-[4-[2-(4-methylsulfonyloxyphenyl)ethoxy]phenyl]ethyl] formate;5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]methyl]-1,3-thiazolidine-2,4-dione;2-[(4-methoxyphenoxy)carbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;5-[[4-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;hydrochloride?

The canonical SMILES for 2-[3-[[4-(cyclopropylmethoxymethyl)-5-(4-methylphenyl)-1,2-oxazol-3-yl]methylsulfanyl]phenyl]acetic acid;[1-ethoxy-2-[4-[2-(4-methylsulfonyloxyphenyl)ethoxy]phenyl]ethyl] formate;5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]methyl]-1,3-thiazolidine-2,4-dione;2-[(4-methoxyphenoxy)carbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;5-[[4-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;hydrochloride is CCOC(Cc1ccc(OCCc2ccc(OS(C)(=O)=O)cc2)cc1)OC=O.CCc1ccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc1.CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1.COc1ccc(OC(=O)N(CC(=O)O)Cc2ccc(OCCc3nc(-c4ccccc4)oc3C)cc2)cc1.Cc1ccc(-c2onc(CSc3cccc(CC(=O)O)c3)c2COCC2CC2)cc1.Cl.Cn1c(COc2ccc(CC3SC(=O)NC3=O)cc2)nc2ccccc2c1=O.O=C1NC(=O)C(Cc2ccc3cc(OCc4ccccc4F)ccc3c2)S1.

What is the InChIKey of 2-[3-[[4-(cyclopropylmethoxymethyl)-5-(4-methylphenyl)-1,2-oxazol-3-yl]methylsulfanyl]phenyl]acetic acid;[1-ethoxy-2-[4-[2-(4-methylsulfonyloxyphenyl)ethoxy]phenyl]ethyl] formate;5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]methyl]-1,3-thiazolidine-2,4-dione;2-[(4-methoxyphenoxy)carbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;5-[[4-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;hydrochloride?

The InChIKey is JQMMXUUPEAOWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N2O7.C24H25NO4S.C21H16FNO3S.C20H17N3O4S.C20H24O7S.C19H20N2O3S.C18H19N3O3S.ClH/c1-20-26(30-28(37-20)22-6-4-3-5-7-22)16-17-36-24-10-8-21(9-11-24)18-31(19-27(32)33)29(34)38-25-14-12-23(35-2)13-15-25;1-16-5-9-19(10-6-16)24-21(14-28-13-17-7-8-17)22(25-29-24)15-30-20-4-2-3-18(11-20)12-23(26)27;22-18-4-2-1-3-16(18)12-26-17-8-7-14-9-13(5-6-15(14)11-17)10-19-20(24)23-21(25)27-19;1-23-17(21-15-5-3-2-4-14(15)19(23)25)11-27-13-8-6-12(7-9-13)10-16-18(24)22-20(26)28-16;1-3-24-20(26-15-21)14-17-6-8-18(9-7-17)25-13-12-16-4-10-19(11-5-16)27-28(2,22)23;1-2-13-3-6-15(20-12-13)9-10-24-16-7-4-14(5-8-16)11-17-18(22)21-19(23)25-17;1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15;/h3-15H,16-19H2,1-2H3,(H,32,33);2-6,9-11,17H,7-8,12-15H2,1H3,(H,26,27);1-9,11,19H,10,12H2,(H,23,24,25);2-9,16H,10-11H2,1H3,(H,22,24,26);4-11,15,20H,3,12-14H2,1-2H3;3-8,12,17H,2,9-11H2,1H3,(H,21,22,23);2-9,15H,10-12H2,1H3,(H,20,22,23);1H.

What are the key properties of 2-[3-[[4-(cyclopropylmethoxymethyl)-5-(4-methylphenyl)-1,2-oxazol-3-yl]methylsulfanyl]phenyl]acetic acid;[1-ethoxy-2-[4-[2-(4-methylsulfonyloxyphenyl)ethoxy]phenyl]ethyl] formate;5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]methyl]-1,3-thiazolidine-2,4-dione;2-[(4-methoxyphenoxy)carbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;5-[[4-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;hydrochloride?

2-[3-[[4-(cyclopropylmethoxymethyl)-5-(4-methylphenyl)-1,2-oxazol-3-yl]methylsulfanyl]phenyl]acetic acid;[1-ethoxy-2-[4-[2-(4-methylsulfonyloxyphenyl)ethoxy]phenyl]ethyl] formate;5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]methyl]-1,3-thiazolidine-2,4-dione;2-[(4-methoxyphenoxy)carbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;5-[[4-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;hydrochloride has a molecular weight of 2875.77 g/mol, XLogP of 26.52, 57 rotatable bonds, 6 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[[4-(cyclopropylmethoxymethyl)-5-(4-methylphenyl)-1,2-oxazol-3-yl]methylsulfanyl]phenyl]acetic acid;[1-ethoxy-2-[4-[2-(4-methylsulfonyloxyphenyl)ethoxy]phenyl]ethyl] formate;5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]methyl]-1,3-thiazolidine-2,4-dione;2-[(4-methoxyphenoxy)carbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;5-[[4-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;hydrochloride is sourced from PubChem (CID 158301287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).