5-amino-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N,2-dimethylbenzamide

C15H20N4O3 — CID 120635057

IUPAC5-amino-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N,2-dimethylbenzamide
SMILESCOCCc1noc(CN(C)C(=O)c2cc(N)ccc2C)n1
InChIInChI=1S/C15H20N4O3/c1-10-4-5-11(16)8-12(10)15(20)19(2)9-14-17-13(18-22-14)6-7-21-3/h4-5,8H,6-7,9,16H2,1-3H3
InChIKeyFHUQNMMIZOFBHH-UHFFFAOYSA-N
MW304.35 g/mol
LogP1.42
Rot. Bonds6

About 5-amino-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N,2-dimethylbenzamide

5-amino-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N,2-dimethylbenzamide (PubChem CID 120635057) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is 5-amino-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N,2-dimethylbenzamide.

Molecular Properties

Compound Name5-amino-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N,2-dimethylbenzamide
PubChem CID120635057
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC Name5-amino-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N,2-dimethylbenzamide
SMILESCOCCc1noc(CN(C)C(=O)c2cc(N)ccc2C)n1
InChIInChI=1S/C15H20N4O3/c1-10-4-5-11(16)8-12(10)15(20)19(2)9-14-17-13(18-22-14)6-7-21-3/h4-5,8H,6-7,9,16H2,1-3H3
InChIKeyFHUQNMMIZOFBHH-UHFFFAOYSA-N
XLogP1.42
TPSA94.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 5-amino-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N,2-dimethylbenzamide 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-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1H-benzimidazole-2-carboxamide
CID 77085663
5-amino-N-[2-(4-methoxyphenoxy)ethyl]-N,2-dimethylbenzamide;hydrochloride
CID 120618208
N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2,4,5-trimethoxy-N-methylbenzamide
CID 52886359
5-amino-N,2-dimethyl-N-(pyridin-2-ylmethyl)benzamide
CID 61291923
3-(2-chloro-5-fluorophenyl)-1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methylurea
CID 71920225
ethyl 2-[(5-amino-2-methylbenzoyl)-methylamino]acetate
CID 54969504
methyl 4-[(5-amino-2-methylbenzoyl)-methylamino]butanoate
CID 61290799
4-amino-2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 106413248
5-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-2-methylbenzamide;hydrochloride
CID 120623191
2-(dimethylamino)-2-(2-fluorophenyl)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylacetamide
CID 72931424
5-amino-N-benzyl-N-(4-methoxybutyl)-2-methylbenzamide
CID 120626022
5-(4-fluorophenyl)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpyrazolidine-3-carboxamide
CID 78086018

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N,2-dimethylbenzamide?
The IUPAC name of 5-amino-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N,2-dimethylbenzamide (CID 120635057) is 5-amino-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N,2-dimethylbenzamide.
What is the SMILES notation for 5-amino-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N,2-dimethylbenzamide?
The canonical SMILES for 5-amino-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N,2-dimethylbenzamide is COCCc1noc(CN(C)C(=O)c2cc(N)ccc2C)n1.
What is the InChIKey of 5-amino-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N,2-dimethylbenzamide?
The InChIKey is FHUQNMMIZOFBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3/c1-10-4-5-11(16)8-12(10)15(20)19(2)9-14-17-13(18-22-14)6-7-21-3/h4-5,8H,6-7,9,16H2,1-3H3.
What are the key properties of 5-amino-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N,2-dimethylbenzamide?
5-amino-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N,2-dimethylbenzamide has a molecular weight of 304.35 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N,2-dimethylbenzamide is sourced from PubChem (CID 120635057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).