N-(3,4-dimethoxyphenyl)-5-methyl-1,3,4-oxadiazole-2-carboxamide

C12H13N3O4 — CID 110392915

IUPACN-(3,4-dimethoxyphenyl)-5-methyl-1,3,4-oxadiazole-2-carboxamide
SMILESCOc1ccc(NC(=O)c2nnc(C)o2)cc1OC
InChIInChI=1S/C12H13N3O4/c1-7-14-15-12(19-7)11(16)13-8-4-5-9(17-2)10(6-8)18-3/h4-6H,1-3H3,(H,13,16)
InChIKeyIJXHZNXIMKOKLD-UHFFFAOYSA-N
MW263.25 g/mol
LogP1.65
Rot. Bonds4

About N-(3,4-dimethoxyphenyl)-5-methyl-1,3,4-oxadiazole-2-carboxamide

N-(3,4-dimethoxyphenyl)-5-methyl-1,3,4-oxadiazole-2-carboxamide (PubChem CID 110392915) has the molecular formula C12H13N3O4 and a molecular weight of 263.25 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-5-methyl-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-5-methyl-1,3,4-oxadiazole-2-carboxamide
PubChem CID110392915
Molecular FormulaC12H13N3O4
Molecular Weight263.25 g/mol
Exact Mass263.09
IUPAC NameN-(3,4-dimethoxyphenyl)-5-methyl-1,3,4-oxadiazole-2-carboxamide
SMILESCOc1ccc(NC(=O)c2nnc(C)o2)cc1OC
InChIInChI=1S/C12H13N3O4/c1-7-14-15-12(19-7)11(16)13-8-4-5-9(17-2)10(6-8)18-3/h4-6H,1-3H3,(H,13,16)
InChIKeyIJXHZNXIMKOKLD-UHFFFAOYSA-N
XLogP1.65
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3,4-dimethoxyphenyl)-5-methyl-1,3,4-oxadiazole-2-carboxamide 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-(4-acetamidophenyl)-5-methyl-1,3,4-oxadiazole-2-carboxamide
CID 110392922
N-(3,4-dimethoxyphenyl)-2-methyl-1,3-oxazole-5-carboxamide
CID 110702289
5-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391609
N-(2,4-dimethoxyphenyl)-5-methyl-1,3,4-oxadiazole-2-carboxamide
CID 110392914
N-(3,4-dimethoxyphenyl)-2-methyl-4-propan-2-yl-1,3-oxazole-5-carboxamide
CID 110684744
N-(4-acetylphenyl)-5-methyl-1,3,4-oxadiazole-2-carboxamide
CID 110392920
N-(3,4-dimethoxyphenyl)-4-methyl-1,2-oxazole-5-carboxamide
CID 110860667
N-(3,4-dimethoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 1245318
(3,4-dimethoxyphenyl)urea
CID 21197430
1-N-(3,4-dimethoxyphenyl)-4-N-hydroxybenzene-1,4-dicarboxamide
CID 126493303
N,N'-bis(3,4-dimethoxyphenyl)propanediamide
CID 21232287
4-amino-N-(3,4-dimethoxyphenyl)-1,2,5-oxadiazole-3-carboxamide
CID 17085500

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-5-methyl-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-5-methyl-1,3,4-oxadiazole-2-carboxamide (CID 110392915) is N-(3,4-dimethoxyphenyl)-5-methyl-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-5-methyl-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-5-methyl-1,3,4-oxadiazole-2-carboxamide is COc1ccc(NC(=O)c2nnc(C)o2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-5-methyl-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is IJXHZNXIMKOKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4/c1-7-14-15-12(19-7)11(16)13-8-4-5-9(17-2)10(6-8)18-3/h4-6H,1-3H3,(H,13,16).
What are the key properties of N-(3,4-dimethoxyphenyl)-5-methyl-1,3,4-oxadiazole-2-carboxamide?
N-(3,4-dimethoxyphenyl)-5-methyl-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 263.25 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-5-methyl-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 110392915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).