2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole

C20H20N2O4 — CID 24605221

IUPAC2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnc(COc3cccc4c3OC(C)(C)C4)o2)cc1
InChIInChI=1S/C20H20N2O4/c1-20(2)11-14-5-4-6-16(18(14)26-20)24-12-17-21-22-19(25-17)13-7-9-15(23-3)10-8-13/h4-10H,11-12H2,1-3H3
InChIKeyNCWCMVRAKLZYCM-UHFFFAOYSA-N
MW352.39 g/mol
LogP4.04
Rot. Bonds5

About 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole

2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole (PubChem CID 24605221) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
PubChem CID24605221
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnc(COc3cccc4c3OC(C)(C)C4)o2)cc1
InChIInChI=1S/C20H20N2O4/c1-20(2)11-14-5-4-6-16(18(14)26-20)24-12-17-21-22-19(25-17)13-7-9-15(23-3)10-8-13/h4-10H,11-12H2,1-3H3
InChIKeyNCWCMVRAKLZYCM-UHFFFAOYSA-N
XLogP4.04
TPSA66.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole with MolForge

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Related Compounds

2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-5-ethyl-1,3,4-oxadiazole
CID 138998581
2-[(2-ethoxyphenoxy)methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 110655871
2-[(2-tert-butylphenoxy)methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 110655868
2-(methoxymethyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 67274190
2-[(2,6-dimethoxy-4-methylphenoxy)methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 24607341
2,2-dimethyl-7-propoxy-3H-1-benzofuran
CID 54001928
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide
CID 55461094
2-[(4-methoxy-2-nitrophenoxy)methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 26035873
[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetate
CID 9328598
4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]benzamide
CID 26051370
2-(3,4-dimethoxyphenyl)-5-[(3-methoxyphenoxy)methyl]-1,3,4-oxadiazole
CID 110655896
4-chloro-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]pyridine
CID 79256209

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole (CID 24605221) is 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole is COc1ccc(-c2nnc(COc3cccc4c3OC(C)(C)C4)o2)cc1.
What is the InChIKey of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole?
The InChIKey is NCWCMVRAKLZYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-20(2)11-14-5-4-6-16(18(14)26-20)24-12-17-21-22-19(25-17)13-7-9-15(23-3)10-8-13/h4-10H,11-12H2,1-3H3.
What are the key properties of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole?
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole has a molecular weight of 352.39 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 24605221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).