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

C19H19N3O5 — CID 46684237

IUPACN-[(3,4-dimethoxyphenyl)methyl]-2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetamide
SMILESCOc1ccc(CNC(=O)Cn2nc(-c3ccccc3)oc2=O)cc1OC
InChIInChI=1S/C19H19N3O5/c1-25-15-9-8-13(10-16(15)26-2)11-20-17(23)12-22-19(24)27-18(21-22)14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3,(H,20,23)
InChIKeyWTSQANQBNAIESW-UHFFFAOYSA-N
MW369.38 g/mol
LogP1.84
Rot. Bonds7

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

N-[(3,4-dimethoxyphenyl)methyl]-2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetamide (PubChem CID 46684237) has the molecular formula C19H19N3O5 and a molecular weight of 369.38 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetamide
PubChem CID46684237
Molecular FormulaC19H19N3O5
Molecular Weight369.38 g/mol
Exact Mass369.13
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetamide
SMILESCOc1ccc(CNC(=O)Cn2nc(-c3ccccc3)oc2=O)cc1OC
InChIInChI=1S/C19H19N3O5/c1-25-15-9-8-13(10-16(15)26-2)11-20-17(23)12-22-19(24)27-18(21-22)14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3,(H,20,23)
InChIKeyWTSQANQBNAIESW-UHFFFAOYSA-N
XLogP1.84
TPSA95.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(3,4-dimethoxyphenyl)methyl]-2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[(3-chlorophenyl)methyl]-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide
CID 9209879
N-benzyl-2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 71830901
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 6620516
N-[(3,4-dimethoxyphenyl)methyl]-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide
CID 9082707
N-[[4-(dimethylamino)phenyl]methyl]-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide
CID 9305124
3-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
CID 2365750
N-[(3,4-dimethoxyphenyl)methyl]-2-phenylsulfanylacetamide
CID 2707709
5-[[[2-(benzotriazol-1-yl)acetyl]amino]methyl]-2-methoxybenzoic acid
CID 71900117
N-[(3,4-dimethoxyphenyl)methyl]-3-phenylpropanamide
CID 803893
2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 42891981
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1-oxophthalazin-2-yl)acetamide
CID 9368902
N-[(3,4-dimethoxyphenyl)methyl]-2-(3,3-dimethyl-2-oxoindol-1-yl)acetamide
CID 53057385

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetamide (CID 46684237) is N-[(3,4-dimethoxyphenyl)methyl]-2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetamide is COc1ccc(CNC(=O)Cn2nc(-c3ccccc3)oc2=O)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetamide?
The InChIKey is WTSQANQBNAIESW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5/c1-25-15-9-8-13(10-16(15)26-2)11-20-17(23)12-22-19(24)27-18(21-22)14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3,(H,20,23).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetamide?
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetamide has a molecular weight of 369.38 g/mol, XLogP of 1.84, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetamide is sourced from PubChem (CID 46684237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).