N-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(2,4-dimethoxyphenyl)acetamide

C22H25N3O6 — CID 43976073

IUPACN-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(2,4-dimethoxyphenyl)acetamide
SMILESCCOc1ccc(-c2nnc(NC(=O)Cc3ccc(OC)cc3OC)o2)cc1OCC
InChIInChI=1S/C22H25N3O6/c1-5-29-17-10-8-15(11-19(17)30-6-2)21-24-25-22(31-21)23-20(26)12-14-7-9-16(27-3)13-18(14)28-4/h7-11,13H,5-6,12H2,1-4H3,(H,23,25,26)
InChIKeyIZHXCIZYSWNTKW-UHFFFAOYSA-N
MW427.46 g/mol
LogP3.73
Rot. Bonds10

About N-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(2,4-dimethoxyphenyl)acetamide

N-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(2,4-dimethoxyphenyl)acetamide (PubChem CID 43976073) has the molecular formula C22H25N3O6 and a molecular weight of 427.46 g/mol. Its IUPAC name is N-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(2,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(2,4-dimethoxyphenyl)acetamide
PubChem CID43976073
Molecular FormulaC22H25N3O6
Molecular Weight427.46 g/mol
Exact Mass427.17
IUPAC NameN-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(2,4-dimethoxyphenyl)acetamide
SMILESCCOc1ccc(-c2nnc(NC(=O)Cc3ccc(OC)cc3OC)o2)cc1OCC
InChIInChI=1S/C22H25N3O6/c1-5-29-17-10-8-15(11-19(17)30-6-2)21-24-25-22(31-21)23-20(26)12-14-7-9-16(27-3)13-18(14)28-4/h7-11,13H,5-6,12H2,1-4H3,(H,23,25,26)
InChIKeyIZHXCIZYSWNTKW-UHFFFAOYSA-N
XLogP3.73
TPSA104.94 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-methoxybenzamide
CID 43975865
N-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-methoxybenzamide
CID 43975922
N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 8719065
N-[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methylphenyl)acetamide
CID 16854277
N-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-phenylbenzamide
CID 43975859
N-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-(4-methylphenyl)sulfonylpropanamide
CID 43975965
2-(2,4-dimethoxyphenyl)-N-(4-ethoxyphenyl)acetamide
CID 9400826
N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-(4-methoxyphenyl)sulfonylpropanamide
CID 41324486
N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 8719068
4-butoxy-N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 7655666
3-(4-chlorophenyl)sulfonyl-N-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 43975968
N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-ethoxyphenyl)acetamide
CID 8719964

Frequently Asked Questions

What is the IUPAC name of N-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(2,4-dimethoxyphenyl)acetamide?
The IUPAC name of N-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(2,4-dimethoxyphenyl)acetamide (CID 43976073) is N-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(2,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for N-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(2,4-dimethoxyphenyl)acetamide?
The canonical SMILES for N-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(2,4-dimethoxyphenyl)acetamide is CCOc1ccc(-c2nnc(NC(=O)Cc3ccc(OC)cc3OC)o2)cc1OCC.
What is the InChIKey of N-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(2,4-dimethoxyphenyl)acetamide?
The InChIKey is IZHXCIZYSWNTKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O6/c1-5-29-17-10-8-15(11-19(17)30-6-2)21-24-25-22(31-21)23-20(26)12-14-7-9-16(27-3)13-18(14)28-4/h7-11,13H,5-6,12H2,1-4H3,(H,23,25,26).
What are the key properties of N-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(2,4-dimethoxyphenyl)acetamide?
N-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(2,4-dimethoxyphenyl)acetamide has a molecular weight of 427.46 g/mol, XLogP of 3.73, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(2,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 43976073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).