5-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-3,3-dimethyl-1H-indol-2-one;3-[5-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-3,3-dimethyl-2-oxoindol-1-yl]benzoic acid;methyl 3-[5-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-3,3-dimethyl-2-oxoindol-1-yl]benzoate

C84H70Cl6N6O13 — CID 160515779

About 5-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-3,3-dimethyl-1H-indol-2-one;3-[5-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-3,3-dimethyl-2-oxoindol-1-yl]benzoic acid;methyl 3-[5-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-3,3-dimethyl-2-oxoindol-1-yl]benzoate

5-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-3,3-dimethyl-1H-indol-2-one;3-[5-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-3,3-dimethyl-2-oxoindol-1-yl]benzoic acid;methyl 3-[5-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-3,3-dimethyl-2-oxoindol-1-yl]benzoate (PubChem CID 160515779) has the molecular formula C84H70Cl6N6O13 and a molecular weight of 1584.23 g/mol. Its IUPAC name is 5-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-3,3-dimethyl-1H-indol-2-one;3-[5-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-3,3-dimethyl-2-oxoindol-1-yl]benzoic acid;methyl 3-[5-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-3,3-dimethyl-2-oxoindol-1-yl]benzoate.

Molecular Properties

• Compound Name: 5-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-3,3-dimethyl-1H-indol-2-one;3-[5-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-3,3-dimethyl-2-oxoindol-1-yl]benzoic acid;methyl 3-[5-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-3,3-dimethyl-2-oxoindol-1-yl]benzoate
• PubChem CID: 160515779
• Molecular Formula: C84H70Cl6N6O13
• Molecular Weight: 1584.23 g/mol
• Exact Mass: 1580.31
• IUPAC Name: 5-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-3,3-dimethyl-1H-indol-2-one;3-[5-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-3,3-dimethyl-2-oxoindol-1-yl]benzoic acid;methyl 3-[5-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-3,3-dimethyl-2-oxoindol-1-yl]benzoate
• SMILES: CC1(C)C(=O)N(c2cccc(C(=O)O)c2)c2ccc(OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)cc21.CC1(C)C(=O)Nc2ccc(OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)cc21.COC(=O)c1cccc(N2C(=O)C(C)(C)c3cc(OCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)ccc32)c1
• InChI: InChI=1S/C31H26Cl2N2O5.C30H24Cl2N2O5.C23H20Cl2N2O3/c1-31(2)22-15-20(12-13-25(22)35(30(31)37)19-7-4-6-18(14-19)29(36)38-3)39-16-21-27(34-40-28(21)17-10-11-17)26-23(32)8-5-9-24(26)33;1-30(2)21-14-19(11-12-24(21)34(29(30)37)18-6-3-5-17(13-18)28(35)36)38-15-20-26(33-39-27(20)16-9-10-16)25-22(31)7-4-8-23(25)32;1-23(2)15-10-13(8-9-18(15)26-22(23)28)29-11-14-20(27-30-21(14)12-6-7-12)19-16(24)4-3-5-17(19)25/h4-9,12-15,17H,10-11,16H2,1-3H3;3-8,11-14,16H,9-10,15H2,1-2H3,(H,35,36);3-5,8-10,12H,6-7,11H2,1-2H3,(H,26,28)
• InChIKey: QTQFHEVTIPVKLA-UHFFFAOYSA-N
• XLogP: 21.94
• TPSA: 239.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 15
• Rotatable Bonds: 19
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1584.23
LogP ≤ 5	21.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 5-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-3,3-dimethyl-1H-indol-2-one;3-[5-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-3,3-dimethyl-2-oxoindol-1-yl]benzoic acid;methyl 3-[5-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-3,3-dimethyl-2-oxoindol-1-yl]benzoate?

The IUPAC name of 5-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-3,3-dimethyl-1H-indol-2-one;3-[5-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-3,3-dimethyl-2-oxoindol-1-yl]benzoic acid;methyl 3-[5-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-3,3-dimethyl-2-oxoindol-1-yl]benzoate (CID 160515779) is 5-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-3,3-dimethyl-1H-indol-2-one;3-[5-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-3,3-dimethyl-2-oxoindol-1-yl]benzoic acid;methyl 3-[5-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-3,3-dimethyl-2-oxoindol-1-yl]benzoate.

What is the SMILES notation for 5-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-3,3-dimethyl-1H-indol-2-one;3-[5-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-3,3-dimethyl-2-oxoindol-1-yl]benzoic acid;methyl 3-[5-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-3,3-dimethyl-2-oxoindol-1-yl]benzoate?

The canonical SMILES for 5-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-3,3-dimethyl-1H-indol-2-one;3-[5-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-3,3-dimethyl-2-oxoindol-1-yl]benzoic acid;methyl 3-[5-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-3,3-dimethyl-2-oxoindol-1-yl]benzoate is CC1(C)C(=O)N(c2cccc(C(=O)O)c2)c2ccc(OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)cc21.CC1(C)C(=O)Nc2ccc(OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)cc21.COC(=O)c1cccc(N2C(=O)C(C)(C)c3cc(OCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)ccc32)c1.

What is the InChIKey of 5-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-3,3-dimethyl-1H-indol-2-one;3-[5-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-3,3-dimethyl-2-oxoindol-1-yl]benzoic acid;methyl 3-[5-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-3,3-dimethyl-2-oxoindol-1-yl]benzoate?

The InChIKey is QTQFHEVTIPVKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26Cl2N2O5.C30H24Cl2N2O5.C23H20Cl2N2O3/c1-31(2)22-15-20(12-13-25(22)35(30(31)37)19-7-4-6-18(14-19)29(36)38-3)39-16-21-27(34-40-28(21)17-10-11-17)26-23(32)8-5-9-24(26)33;1-30(2)21-14-19(11-12-24(21)34(29(30)37)18-6-3-5-17(13-18)28(35)36)38-15-20-26(33-39-27(20)16-9-10-16)25-22(31)7-4-8-23(25)32;1-23(2)15-10-13(8-9-18(15)26-22(23)28)29-11-14-20(27-30-21(14)12-6-7-12)19-16(24)4-3-5-17(19)25/h4-9,12-15,17H,10-11,16H2,1-3H3;3-8,11-14,16H,9-10,15H2,1-2H3,(H,35,36);3-5,8-10,12H,6-7,11H2,1-2H3,(H,26,28).

What are the key properties of 5-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-3,3-dimethyl-1H-indol-2-one;3-[5-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-3,3-dimethyl-2-oxoindol-1-yl]benzoic acid;methyl 3-[5-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-3,3-dimethyl-2-oxoindol-1-yl]benzoate?

5-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-3,3-dimethyl-1H-indol-2-one;3-[5-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-3,3-dimethyl-2-oxoindol-1-yl]benzoic acid;methyl 3-[5-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-3,3-dimethyl-2-oxoindol-1-yl]benzoate has a molecular weight of 1584.23 g/mol, XLogP of 21.94, 19 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-3,3-dimethyl-1H-indol-2-one;3-[5-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-3,3-dimethyl-2-oxoindol-1-yl]benzoic acid;methyl 3-[5-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-3,3-dimethyl-2-oxoindol-1-yl]benzoate is sourced from PubChem (CID 160515779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).