bis(3-[3-[2-chloro-4-[[3-(2-chloro-6-methylphenyl)-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]phenyl]-3-hydroxycyclobutyl]-4-methylbenzoic acid);bis(3-[3-[2-chloro-4-[[3-(2-chloro-6-methylphenyl)-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]phenyl]-3-hydroxycyclobutyl]-5-methylbenzoic acid);bis(5-[3-[2-chloro-4-[[3-(2-chloro-6-methylphenyl)-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]phenyl]-3-hydroxycyclobutyl]-2-methylbenzoic acid)

C192H174Cl12N6O30 — CID 161363485

About bis(3-[3-[2-chloro-4-[[3-(2-chloro-6-methylphenyl)-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]phenyl]-3-hydroxycyclobutyl]-4-methylbenzoic acid);bis(3-[3-[2-chloro-4-[[3-(2-chloro-6-methylphenyl)-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]phenyl]-3-hydroxycyclobutyl]-5-methylbenzoic acid);bis(5-[3-[2-chloro-4-[[3-(2-chloro-6-methylphenyl)-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]phenyl]-3-hydroxycyclobutyl]-2-methylbenzoic acid)

bis(3-[3-[2-chloro-4-[[3-(2-chloro-6-methylphenyl)-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]phenyl]-3-hydroxycyclobutyl]-4-methylbenzoic acid);bis(3-[3-[2-chloro-4-[[3-(2-chloro-6-methylphenyl)-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]phenyl]-3-hydroxycyclobutyl]-5-methylbenzoic acid);bis(5-[3-[2-chloro-4-[[3-(2-chloro-6-methylphenyl)-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]phenyl]-3-hydroxycyclobutyl]-2-methylbenzoic acid) (PubChem CID 161363485) has the molecular formula C192H174Cl12N6O30 and a molecular weight of 3470.95 g/mol. Its IUPAC name is bis(3-[3-[2-chloro-4-[[3-(2-chloro-6-methylphenyl)-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]phenyl]-3-hydroxycyclobutyl]-4-methylbenzoic acid);bis(3-[3-[2-chloro-4-[[3-(2-chloro-6-methylphenyl)-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]phenyl]-3-hydroxycyclobutyl]-5-methylbenzoic acid);bis(5-[3-[2-chloro-4-[[3-(2-chloro-6-methylphenyl)-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]phenyl]-3-hydroxycyclobutyl]-2-methylbenzoic acid).

Molecular Properties

• Compound Name: bis(3-[3-[2-chloro-4-[[3-(2-chloro-6-methylphenyl)-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]phenyl]-3-hydroxycyclobutyl]-4-methylbenzoic acid);bis(3-[3-[2-chloro-4-[[3-(2-chloro-6-methylphenyl)-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]phenyl]-3-hydroxycyclobutyl]-5-methylbenzoic acid);bis(5-[3-[2-chloro-4-[[3-(2-chloro-6-methylphenyl)-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]phenyl]-3-hydroxycyclobutyl]-2-methylbenzoic acid)
• PubChem CID: 161363485
• Molecular Formula: C192H174Cl12N6O30
• Molecular Weight: 3470.95 g/mol
• Exact Mass: 3462.85
• IUPAC Name: bis(3-[3-[2-chloro-4-[[3-(2-chloro-6-methylphenyl)-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]phenyl]-3-hydroxycyclobutyl]-4-methylbenzoic acid);bis(3-[3-[2-chloro-4-[[3-(2-chloro-6-methylphenyl)-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]phenyl]-3-hydroxycyclobutyl]-5-methylbenzoic acid);bis(5-[3-[2-chloro-4-[[3-(2-chloro-6-methylphenyl)-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]phenyl]-3-hydroxycyclobutyl]-2-methylbenzoic acid)
• SMILES: Cc1cc(C(=O)O)cc(C2CC(O)(c3ccc(OCc4c(-c5c(C)cccc5Cl)noc4C4CC4)cc3Cl)C2)c1.Cc1cc(C(=O)O)cc(C2CC(O)(c3ccc(OCc4c(-c5c(C)cccc5Cl)noc4C4CC4)cc3Cl)C2)c1.Cc1ccc(C(=O)O)cc1C1CC(O)(c2ccc(OCc3c(-c4c(C)cccc4Cl)noc3C3CC3)cc2Cl)C1.Cc1ccc(C(=O)O)cc1C1CC(O)(c2ccc(OCc3c(-c4c(C)cccc4Cl)noc3C3CC3)cc2Cl)C1.Cc1ccc(C2CC(O)(c3ccc(OCc4c(-c5c(C)cccc5Cl)noc4C4CC4)cc3Cl)C2)cc1C(=O)O.Cc1ccc(C2CC(O)(c3ccc(OCc4c(-c5c(C)cccc5Cl)noc4C4CC4)cc3Cl)C2)cc1C(=O)O
• InChI: InChI=1S/6C32H29Cl2NO5/c2*1-17-10-20(12-21(11-17)31(36)37)22-14-32(38,15-22)25-9-8-23(13-27(25)34)39-16-24-29(35-40-30(24)19-6-7-19)28-18(2)4-3-5-26(28)33;2*1-17-6-7-20(31(36)37)12-23(17)21-14-32(38,15-21)25-11-10-22(13-27(25)34)39-16-24-29(35-40-30(24)19-8-9-19)28-18(2)4-3-5-26(28)33;2*1-17-6-7-20(12-23(17)31(36)37)21-14-32(38,15-21)25-11-10-22(13-27(25)34)39-16-24-29(35-40-30(24)19-8-9-19)28-18(2)4-3-5-26(28)33/h2*3-5,8-13,19,22,38H,6-7,14-16H2,1-2H3,(H,36,37);4*3-7,10-13,19,21,38H,8-9,14-16H2,1-2H3,(H,36,37)
• InChIKey: VPMREVAUDRRBEM-UHFFFAOYSA-N
• XLogP: 49.11
• TPSA: 556.74 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 30
• Rotatable Bonds: 48
• Heavy Atoms: 240
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3470.95
LogP ≤ 5	49.11
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of bis(3-[3-[2-chloro-4-[[3-(2-chloro-6-methylphenyl)-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]phenyl]-3-hydroxycyclobutyl]-4-methylbenzoic acid);bis(3-[3-[2-chloro-4-[[3-(2-chloro-6-methylphenyl)-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]phenyl]-3-hydroxycyclobutyl]-5-methylbenzoic acid);bis(5-[3-[2-chloro-4-[[3-(2-chloro-6-methylphenyl)-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]phenyl]-3-hydroxycyclobutyl]-2-methylbenzoic acid)?

The IUPAC name of bis(3-[3-[2-chloro-4-[[3-(2-chloro-6-methylphenyl)-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]phenyl]-3-hydroxycyclobutyl]-4-methylbenzoic acid);bis(3-[3-[2-chloro-4-[[3-(2-chloro-6-methylphenyl)-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]phenyl]-3-hydroxycyclobutyl]-5-methylbenzoic acid);bis(5-[3-[2-chloro-4-[[3-(2-chloro-6-methylphenyl)-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]phenyl]-3-hydroxycyclobutyl]-2-methylbenzoic acid) (CID 161363485) is bis(3-[3-[2-chloro-4-[[3-(2-chloro-6-methylphenyl)-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]phenyl]-3-hydroxycyclobutyl]-4-methylbenzoic acid);bis(3-[3-[2-chloro-4-[[3-(2-chloro-6-methylphenyl)-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]phenyl]-3-hydroxycyclobutyl]-5-methylbenzoic acid);bis(5-[3-[2-chloro-4-[[3-(2-chloro-6-methylphenyl)-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]phenyl]-3-hydroxycyclobutyl]-2-methylbenzoic acid).

What is the SMILES notation for bis(3-[3-[2-chloro-4-[[3-(2-chloro-6-methylphenyl)-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]phenyl]-3-hydroxycyclobutyl]-4-methylbenzoic acid);bis(3-[3-[2-chloro-4-[[3-(2-chloro-6-methylphenyl)-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]phenyl]-3-hydroxycyclobutyl]-5-methylbenzoic acid);bis(5-[3-[2-chloro-4-[[3-(2-chloro-6-methylphenyl)-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]phenyl]-3-hydroxycyclobutyl]-2-methylbenzoic acid)?

The canonical SMILES for bis(3-[3-[2-chloro-4-[[3-(2-chloro-6-methylphenyl)-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]phenyl]-3-hydroxycyclobutyl]-4-methylbenzoic acid);bis(3-[3-[2-chloro-4-[[3-(2-chloro-6-methylphenyl)-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]phenyl]-3-hydroxycyclobutyl]-5-methylbenzoic acid);bis(5-[3-[2-chloro-4-[[3-(2-chloro-6-methylphenyl)-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]phenyl]-3-hydroxycyclobutyl]-2-methylbenzoic acid) is Cc1cc(C(=O)O)cc(C2CC(O)(c3ccc(OCc4c(-c5c(C)cccc5Cl)noc4C4CC4)cc3Cl)C2)c1.Cc1cc(C(=O)O)cc(C2CC(O)(c3ccc(OCc4c(-c5c(C)cccc5Cl)noc4C4CC4)cc3Cl)C2)c1.Cc1ccc(C(=O)O)cc1C1CC(O)(c2ccc(OCc3c(-c4c(C)cccc4Cl)noc3C3CC3)cc2Cl)C1.Cc1ccc(C(=O)O)cc1C1CC(O)(c2ccc(OCc3c(-c4c(C)cccc4Cl)noc3C3CC3)cc2Cl)C1.Cc1ccc(C2CC(O)(c3ccc(OCc4c(-c5c(C)cccc5Cl)noc4C4CC4)cc3Cl)C2)cc1C(=O)O.Cc1ccc(C2CC(O)(c3ccc(OCc4c(-c5c(C)cccc5Cl)noc4C4CC4)cc3Cl)C2)cc1C(=O)O.

What is the InChIKey of bis(3-[3-[2-chloro-4-[[3-(2-chloro-6-methylphenyl)-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]phenyl]-3-hydroxycyclobutyl]-4-methylbenzoic acid);bis(3-[3-[2-chloro-4-[[3-(2-chloro-6-methylphenyl)-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]phenyl]-3-hydroxycyclobutyl]-5-methylbenzoic acid);bis(5-[3-[2-chloro-4-[[3-(2-chloro-6-methylphenyl)-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]phenyl]-3-hydroxycyclobutyl]-2-methylbenzoic acid)?

The InChIKey is VPMREVAUDRRBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/6C32H29Cl2NO5/c2*1-17-10-20(12-21(11-17)31(36)37)22-14-32(38,15-22)25-9-8-23(13-27(25)34)39-16-24-29(35-40-30(24)19-6-7-19)28-18(2)4-3-5-26(28)33;2*1-17-6-7-20(31(36)37)12-23(17)21-14-32(38,15-21)25-11-10-22(13-27(25)34)39-16-24-29(35-40-30(24)19-8-9-19)28-18(2)4-3-5-26(28)33;2*1-17-6-7-20(12-23(17)31(36)37)21-14-32(38,15-21)25-11-10-22(13-27(25)34)39-16-24-29(35-40-30(24)19-8-9-19)28-18(2)4-3-5-26(28)33/h2*3-5,8-13,19,22,38H,6-7,14-16H2,1-2H3,(H,36,37);4*3-7,10-13,19,21,38H,8-9,14-16H2,1-2H3,(H,36,37).

What are the key properties of bis(3-[3-[2-chloro-4-[[3-(2-chloro-6-methylphenyl)-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]phenyl]-3-hydroxycyclobutyl]-4-methylbenzoic acid);bis(3-[3-[2-chloro-4-[[3-(2-chloro-6-methylphenyl)-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]phenyl]-3-hydroxycyclobutyl]-5-methylbenzoic acid);bis(5-[3-[2-chloro-4-[[3-(2-chloro-6-methylphenyl)-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]phenyl]-3-hydroxycyclobutyl]-2-methylbenzoic acid)?

bis(3-[3-[2-chloro-4-[[3-(2-chloro-6-methylphenyl)-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]phenyl]-3-hydroxycyclobutyl]-4-methylbenzoic acid);bis(3-[3-[2-chloro-4-[[3-(2-chloro-6-methylphenyl)-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]phenyl]-3-hydroxycyclobutyl]-5-methylbenzoic acid);bis(5-[3-[2-chloro-4-[[3-(2-chloro-6-methylphenyl)-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]phenyl]-3-hydroxycyclobutyl]-2-methylbenzoic acid) has a molecular weight of 3470.95 g/mol, XLogP of 49.11, 48 rotatable bonds, 12 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for bis(3-[3-[2-chloro-4-[[3-(2-chloro-6-methylphenyl)-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]phenyl]-3-hydroxycyclobutyl]-4-methylbenzoic acid);bis(3-[3-[2-chloro-4-[[3-(2-chloro-6-methylphenyl)-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]phenyl]-3-hydroxycyclobutyl]-5-methylbenzoic acid);bis(5-[3-[2-chloro-4-[[3-(2-chloro-6-methylphenyl)-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]phenyl]-3-hydroxycyclobutyl]-2-methylbenzoic acid) is sourced from PubChem (CID 161363485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).