methyl 2-[4-(4-chlorophenyl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-3-oxo-1,2,4-oxadiazolidin-5-yl]acetate

C22H23ClN2O5 — CID 134915368

IUPACmethyl 2-[4-(4-chlorophenyl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-3-oxo-1,2,4-oxadiazolidin-5-yl]acetate
SMILESCOC(=O)CC1ON(Cc2cccc3c2OC(C)(C)C3)C(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C22H23ClN2O5/c1-22(2)12-14-5-4-6-15(20(14)29-22)13-24-21(27)25(17-9-7-16(23)8-10-17)18(30-24)11-19(26)28-3/h4-10,18H,11-13H2,1-3H3
InChIKeyWSQPKFVDYKKNID-UHFFFAOYSA-N
MW430.89 g/mol
LogP4.32
Rot. Bonds5

About methyl 2-[4-(4-chlorophenyl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-3-oxo-1,2,4-oxadiazolidin-5-yl]acetate

methyl 2-[4-(4-chlorophenyl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-3-oxo-1,2,4-oxadiazolidin-5-yl]acetate (PubChem CID 134915368) has the molecular formula C22H23ClN2O5 and a molecular weight of 430.89 g/mol. Its IUPAC name is methyl 2-[4-(4-chlorophenyl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-3-oxo-1,2,4-oxadiazolidin-5-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(4-chlorophenyl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-3-oxo-1,2,4-oxadiazolidin-5-yl]acetate
PubChem CID134915368
Molecular FormulaC22H23ClN2O5
Molecular Weight430.89 g/mol
Exact Mass430.13
IUPAC Namemethyl 2-[4-(4-chlorophenyl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-3-oxo-1,2,4-oxadiazolidin-5-yl]acetate
SMILESCOC(=O)CC1ON(Cc2cccc3c2OC(C)(C)C3)C(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C22H23ClN2O5/c1-22(2)12-14-5-4-6-15(20(14)29-22)13-24-21(27)25(17-9-7-16(23)8-10-17)18(30-24)11-19(26)28-3/h4-10,18H,11-13H2,1-3H3
InChIKeyWSQPKFVDYKKNID-UHFFFAOYSA-N
XLogP4.32
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.89
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-[4-(4-chlorophenyl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-3-oxo-1,2,4-oxadiazolidin-5-yl]acetate with MolForge

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Related Compounds

methyl 2-[4-(2,4-dichlorophenyl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-3-oxo-1,2,4-oxadiazolidin-5-yl]acetate
CID 400260
3-(4-chlorophenyl)-1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-1-hydroxyurea
CID 134871171
3-(2-chlorophenyl)-1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-1-hydroxyurea
CID 134871436
methyl 2-[4-(2-chlorophenyl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-3-oxo-1,2,4-oxadiazolidin-5-yl]acetate
CID 134915367
Ethyl 2-[4-[[3-(4-chlorophenyl)-5,5-dimethyl-2-oxoimidazolidin-1-yl]methyl]-2,6-dimethylphenoxy]-2-methylpropanoate
CID 176061600
Ethyl 2-[4-[[3-(4-chlorophenyl)-2-oxoimidazol-1-yl]methyl]-2,6-dimethylphenoxy]-2-methylpropanoate
CID 176061655
Ethyl 2-[4-[[3-(4-chlorophenyl)-2-oxoimidazolidin-1-yl]methyl]-2,6-dimethylphenoxy]-2-methylpropanoate
CID 176061700
2-[4-(2,4-dichlorophenyl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-3-oxo-1,2,4-oxadiazolidin-5-yl]propanoate
CID 57361709
2-[4-(2,4-dichlorophenyl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-3-oxo-1,2,4-oxadiazolidin-5-yl]propanoic acid
CID 57361710

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(4-chlorophenyl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-3-oxo-1,2,4-oxadiazolidin-5-yl]acetate?
The IUPAC name of methyl 2-[4-(4-chlorophenyl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-3-oxo-1,2,4-oxadiazolidin-5-yl]acetate (CID 134915368) is methyl 2-[4-(4-chlorophenyl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-3-oxo-1,2,4-oxadiazolidin-5-yl]acetate.
What is the SMILES notation for methyl 2-[4-(4-chlorophenyl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-3-oxo-1,2,4-oxadiazolidin-5-yl]acetate?
The canonical SMILES for methyl 2-[4-(4-chlorophenyl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-3-oxo-1,2,4-oxadiazolidin-5-yl]acetate is COC(=O)CC1ON(Cc2cccc3c2OC(C)(C)C3)C(=O)N1c1ccc(Cl)cc1.
What is the InChIKey of methyl 2-[4-(4-chlorophenyl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-3-oxo-1,2,4-oxadiazolidin-5-yl]acetate?
The InChIKey is WSQPKFVDYKKNID-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O5/c1-22(2)12-14-5-4-6-15(20(14)29-22)13-24-21(27)25(17-9-7-16(23)8-10-17)18(30-24)11-19(26)28-3/h4-10,18H,11-13H2,1-3H3.
What are the key properties of methyl 2-[4-(4-chlorophenyl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-3-oxo-1,2,4-oxadiazolidin-5-yl]acetate?
methyl 2-[4-(4-chlorophenyl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-3-oxo-1,2,4-oxadiazolidin-5-yl]acetate has a molecular weight of 430.89 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(4-chlorophenyl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-3-oxo-1,2,4-oxadiazolidin-5-yl]acetate is sourced from PubChem (CID 134915368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).