2-[4-[4-[6-[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-2,6-dioxohexyl]phenyl]cyclohexyl]acetic acid;methyl 2-[4-[4-[6-[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-2,6-dioxohexyl]phenyl]cyclohexyl]acetate

C61H66Cl2N2O10 — CID 158384308

IUPAC2-[4-[4-[6-[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-2,6-dioxohexyl]phenyl]cyclohexyl]acetic acid;methyl 2-[4-[4-[6-[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-2,6-dioxohexyl]phenyl]cyclohexyl]acetate
SMILESCOC(=O)CC1CCC(c2ccc(CC(=O)CCCC(=O)c3nc(-c4ccccc4Cl)oc3C)cc2)CC1.Cc1oc(-c2ccccc2Cl)nc1C(=O)CCCC(=O)Cc1ccc(C2CCC(CC(=O)O)CC2)cc1
InChIInChI=1S/C31H34ClNO5.C30H32ClNO5/c1-20-30(33-31(38-20)26-7-3-4-8-27(26)32)28(35)9-5-6-25(34)18-21-10-14-23(15-11-21)24-16-12-22(13-17-24)19-29(36)37-2;1-19-29(32-30(37-19)25-6-2-3-7-26(25)31)27(34)8-4-5-24(33)17-20-9-13-22(14-10-20)23-15-11-21(12-16-23)18-28(35)36/h3-4,7-8,10-11,14-15,22,24H,5-6,9,12-13,16-19H2,1-2H3;2-3,6-7,9-10,13-14,21,23H,4-5,8,11-12,15-18H2,1H3,(H,35,36)
InChIKeyGWELYQNXTKTRGF-UHFFFAOYSA-N
MW1058.11 g/mol
LogP14.52
Rot. Bonds22

About 2-[4-[4-[6-[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-2,6-dioxohexyl]phenyl]cyclohexyl]acetic acid;methyl 2-[4-[4-[6-[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-2,6-dioxohexyl]phenyl]cyclohexyl]acetate

2-[4-[4-[6-[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-2,6-dioxohexyl]phenyl]cyclohexyl]acetic acid;methyl 2-[4-[4-[6-[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-2,6-dioxohexyl]phenyl]cyclohexyl]acetate (PubChem CID 158384308) has the molecular formula C61H66Cl2N2O10 and a molecular weight of 1058.11 g/mol. Its IUPAC name is 2-[4-[4-[6-[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-2,6-dioxohexyl]phenyl]cyclohexyl]acetic acid;methyl 2-[4-[4-[6-[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-2,6-dioxohexyl]phenyl]cyclohexyl]acetate.

Molecular Properties

Compound Name2-[4-[4-[6-[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-2,6-dioxohexyl]phenyl]cyclohexyl]acetic acid;methyl 2-[4-[4-[6-[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-2,6-dioxohexyl]phenyl]cyclohexyl]acetate
PubChem CID158384308
Molecular FormulaC61H66Cl2N2O10
Molecular Weight1058.11 g/mol
Exact Mass1056.41
IUPAC Name2-[4-[4-[6-[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-2,6-dioxohexyl]phenyl]cyclohexyl]acetic acid;methyl 2-[4-[4-[6-[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-2,6-dioxohexyl]phenyl]cyclohexyl]acetate
SMILESCOC(=O)CC1CCC(c2ccc(CC(=O)CCCC(=O)c3nc(-c4ccccc4Cl)oc3C)cc2)CC1.Cc1oc(-c2ccccc2Cl)nc1C(=O)CCCC(=O)Cc1ccc(C2CCC(CC(=O)O)CC2)cc1
InChIInChI=1S/C31H34ClNO5.C30H32ClNO5/c1-20-30(33-31(38-20)26-7-3-4-8-27(26)32)28(35)9-5-6-25(34)18-21-10-14-23(15-11-21)24-16-12-22(13-17-24)19-29(36)37-2;1-19-29(32-30(37-19)25-6-2-3-7-26(25)31)27(34)8-4-5-24(33)17-20-9-13-22(14-10-20)23-15-11-21(12-16-23)18-28(35)36/h3-4,7-8,10-11,14-15,22,24H,5-6,9,12-13,16-19H2,1-2H3;2-3,6-7,9-10,13-14,21,23H,4-5,8,11-12,15-18H2,1H3,(H,35,36)
InChIKeyGWELYQNXTKTRGF-UHFFFAOYSA-N
XLogP14.52
TPSA183.94 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds22
Heavy Atoms75
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001058.11
LogP ≤ 514.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 2-[4-[4-[6-[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-2,6-dioxohexyl]phenyl]cyclohexyl]acetic acid;methyl 2-[4-[4-[6-[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-2,6-dioxohexyl]phenyl]cyclohexyl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[6-[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-2,6-dioxohexyl]phenyl]cyclohexyl]acetic acid;methyl 2-[4-[4-[6-[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-2,6-dioxohexyl]phenyl]cyclohexyl]acetate?
The IUPAC name of 2-[4-[4-[6-[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-2,6-dioxohexyl]phenyl]cyclohexyl]acetic acid;methyl 2-[4-[4-[6-[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-2,6-dioxohexyl]phenyl]cyclohexyl]acetate (CID 158384308) is 2-[4-[4-[6-[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-2,6-dioxohexyl]phenyl]cyclohexyl]acetic acid;methyl 2-[4-[4-[6-[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-2,6-dioxohexyl]phenyl]cyclohexyl]acetate.
What is the SMILES notation for 2-[4-[4-[6-[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-2,6-dioxohexyl]phenyl]cyclohexyl]acetic acid;methyl 2-[4-[4-[6-[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-2,6-dioxohexyl]phenyl]cyclohexyl]acetate?
The canonical SMILES for 2-[4-[4-[6-[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-2,6-dioxohexyl]phenyl]cyclohexyl]acetic acid;methyl 2-[4-[4-[6-[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-2,6-dioxohexyl]phenyl]cyclohexyl]acetate is COC(=O)CC1CCC(c2ccc(CC(=O)CCCC(=O)c3nc(-c4ccccc4Cl)oc3C)cc2)CC1.Cc1oc(-c2ccccc2Cl)nc1C(=O)CCCC(=O)Cc1ccc(C2CCC(CC(=O)O)CC2)cc1.
What is the InChIKey of 2-[4-[4-[6-[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-2,6-dioxohexyl]phenyl]cyclohexyl]acetic acid;methyl 2-[4-[4-[6-[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-2,6-dioxohexyl]phenyl]cyclohexyl]acetate?
The InChIKey is GWELYQNXTKTRGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34ClNO5.C30H32ClNO5/c1-20-30(33-31(38-20)26-7-3-4-8-27(26)32)28(35)9-5-6-25(34)18-21-10-14-23(15-11-21)24-16-12-22(13-17-24)19-29(36)37-2;1-19-29(32-30(37-19)25-6-2-3-7-26(25)31)27(34)8-4-5-24(33)17-20-9-13-22(14-10-20)23-15-11-21(12-16-23)18-28(35)36/h3-4,7-8,10-11,14-15,22,24H,5-6,9,12-13,16-19H2,1-2H3;2-3,6-7,9-10,13-14,21,23H,4-5,8,11-12,15-18H2,1H3,(H,35,36).
What are the key properties of 2-[4-[4-[6-[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-2,6-dioxohexyl]phenyl]cyclohexyl]acetic acid;methyl 2-[4-[4-[6-[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-2,6-dioxohexyl]phenyl]cyclohexyl]acetate?
2-[4-[4-[6-[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-2,6-dioxohexyl]phenyl]cyclohexyl]acetic acid;methyl 2-[4-[4-[6-[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-2,6-dioxohexyl]phenyl]cyclohexyl]acetate has a molecular weight of 1058.11 g/mol, XLogP of 14.52, 22 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[6-[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-2,6-dioxohexyl]phenyl]cyclohexyl]acetic acid;methyl 2-[4-[4-[6-[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-2,6-dioxohexyl]phenyl]cyclohexyl]acetate is sourced from PubChem (CID 158384308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).