5-(3,5-dimethyl-1-benzofuran-2-yl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide

C23H23N3O5 — CID 53081278

IUPAC5-(3,5-dimethyl-1-benzofuran-2-yl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
SMILESCCOc1ccc(CNC(=O)c2nnc(-c3oc4ccc(C)cc4c3C)o2)cc1OC
InChIInChI=1S/C23H23N3O5/c1-5-29-18-9-7-15(11-19(18)28-4)12-24-21(27)23-26-25-22(31-23)20-14(3)16-10-13(2)6-8-17(16)30-20/h6-11H,5,12H2,1-4H3,(H,24,27)
InChIKeyXMDVRDFKPZVPRH-UHFFFAOYSA-N
MW421.45 g/mol
LogP4.44
Rot. Bonds7

About 5-(3,5-dimethyl-1-benzofuran-2-yl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide

5-(3,5-dimethyl-1-benzofuran-2-yl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide (PubChem CID 53081278) has the molecular formula C23H23N3O5 and a molecular weight of 421.45 g/mol. Its IUPAC name is 5-(3,5-dimethyl-1-benzofuran-2-yl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound Name5-(3,5-dimethyl-1-benzofuran-2-yl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
PubChem CID53081278
Molecular FormulaC23H23N3O5
Molecular Weight421.45 g/mol
Exact Mass421.16
IUPAC Name5-(3,5-dimethyl-1-benzofuran-2-yl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
SMILESCCOc1ccc(CNC(=O)c2nnc(-c3oc4ccc(C)cc4c3C)o2)cc1OC
InChIInChI=1S/C23H23N3O5/c1-5-29-18-9-7-15(11-19(18)28-4)12-24-21(27)23-26-25-22(31-23)20-14(3)16-10-13(2)6-8-17(16)30-20/h6-11H,5,12H2,1-4H3,(H,24,27)
InChIKeyXMDVRDFKPZVPRH-UHFFFAOYSA-N
XLogP4.44
TPSA99.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.45
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(3,5-dimethyl-1-benzofuran-2-yl)-N-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
CID 53081245
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3,5-dimethyl-1-benzofuran-2-yl)-1,2,4-oxadiazole-5-carboxamide
CID 53104944
N-[(3,4-dimethoxyphenyl)methyl]-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391702
5-(4-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
CID 110391547
5-(3,5-dimethyl-1-benzofuran-2-yl)-N-[2-(3-methylthiophen-2-yl)ethyl]-1,3,4-oxadiazole-2-carboxamide
CID 53007246
5-(3,5-dimethyl-1-benzofuran-2-yl)-N-(3-morpholin-4-ylpropyl)-1,3,4-oxadiazole-2-carboxamide
CID 53081250
N-[(3,4-dimethoxyphenyl)methyl]-2-ethoxybenzamide
CID 17070136
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]acetamide
CID 46470607
N-[(4-ethoxy-3-methoxyphenyl)methyl]-5-methyl-1-(3-methylphenyl)triazole-4-carboxamide
CID 55886189
5-[(3-ethoxy-4-methoxyphenyl)methylcarbamoyl]-2-ethylfuran-3-carboxylic acid
CID 120821790
N-[(3-ethoxy-4-methoxyphenyl)methyl]-5-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 20963592
2-(4-aminophenyl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]acetamide
CID 119781593

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethyl-1-benzofuran-2-yl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of 5-(3,5-dimethyl-1-benzofuran-2-yl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide (CID 53081278) is 5-(3,5-dimethyl-1-benzofuran-2-yl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for 5-(3,5-dimethyl-1-benzofuran-2-yl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for 5-(3,5-dimethyl-1-benzofuran-2-yl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide is CCOc1ccc(CNC(=O)c2nnc(-c3oc4ccc(C)cc4c3C)o2)cc1OC.
What is the InChIKey of 5-(3,5-dimethyl-1-benzofuran-2-yl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is XMDVRDFKPZVPRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O5/c1-5-29-18-9-7-15(11-19(18)28-4)12-24-21(27)23-26-25-22(31-23)20-14(3)16-10-13(2)6-8-17(16)30-20/h6-11H,5,12H2,1-4H3,(H,24,27).
What are the key properties of 5-(3,5-dimethyl-1-benzofuran-2-yl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide?
5-(3,5-dimethyl-1-benzofuran-2-yl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 421.45 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethyl-1-benzofuran-2-yl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 53081278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).