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

C16H21ClN4O3 — CID 52675924

IUPAC2-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-(2-methoxyethyl)amino]-N,N-dimethylacetamide
SMILESCOCCN(CC(=O)N(C)C)Cc1nc(-c2cccc(Cl)c2)no1
InChIInChI=1S/C16H21ClN4O3/c1-20(2)15(22)11-21(7-8-23-3)10-14-18-16(19-24-14)12-5-4-6-13(17)9-12/h4-6,9H,7-8,10-11H2,1-3H3
InChIKeyNKJWLTFPFKNESD-UHFFFAOYSA-N
MW352.82 g/mol
LogP1.93
Rot. Bonds8

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

2-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-(2-methoxyethyl)amino]-N,N-dimethylacetamide (PubChem CID 52675924) has the molecular formula C16H21ClN4O3 and a molecular weight of 352.82 g/mol. Its IUPAC name is 2-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-(2-methoxyethyl)amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-(2-methoxyethyl)amino]-N,N-dimethylacetamide
PubChem CID52675924
Molecular FormulaC16H21ClN4O3
Molecular Weight352.82 g/mol
Exact Mass352.13
IUPAC Name2-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-(2-methoxyethyl)amino]-N,N-dimethylacetamide
SMILESCOCCN(CC(=O)N(C)C)Cc1nc(-c2cccc(Cl)c2)no1
InChIInChI=1S/C16H21ClN4O3/c1-20(2)15(22)11-21(7-8-23-3)10-14-18-16(19-24-14)12-5-4-6-13(17)9-12/h4-6,9H,7-8,10-11H2,1-3H3
InChIKeyNKJWLTFPFKNESD-UHFFFAOYSA-N
XLogP1.93
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.82
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-(2-methoxyethyl)amino]-N,N-dimethylacetamide with MolForge

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Related Compounds

N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine
CID 78807499
ethyl 2-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-propylamino]acetate
CID 86854193
1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-one
CID 63346434
2-[2-methoxyethyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol
CID 111103170
1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(dimethylsulfamoyl)-N-methylmethanamine
CID 126819172
3-chloro-N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylbenzamide
CID 50874619
N-(2,3-dimethylphenyl)-2-[2-methoxyethyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]acetamide
CID 17499316
ethyl 2-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl-propylamino]acetate
CID 86854175
N-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(3-chlorophenyl)-N-methylacetamide
CID 100596745
2-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 9043871
1-(2-chlorophenyl)-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine
CID 27097699
4-chloro-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylbenzenesulfonamide
CID 95209114

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-(2-methoxyethyl)amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-(2-methoxyethyl)amino]-N,N-dimethylacetamide (CID 52675924) is 2-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-(2-methoxyethyl)amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-(2-methoxyethyl)amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-(2-methoxyethyl)amino]-N,N-dimethylacetamide is COCCN(CC(=O)N(C)C)Cc1nc(-c2cccc(Cl)c2)no1.
What is the InChIKey of 2-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-(2-methoxyethyl)amino]-N,N-dimethylacetamide?
The InChIKey is NKJWLTFPFKNESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN4O3/c1-20(2)15(22)11-21(7-8-23-3)10-14-18-16(19-24-14)12-5-4-6-13(17)9-12/h4-6,9H,7-8,10-11H2,1-3H3.
What are the key properties of 2-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-(2-methoxyethyl)amino]-N,N-dimethylacetamide?
2-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-(2-methoxyethyl)amino]-N,N-dimethylacetamide has a molecular weight of 352.82 g/mol, XLogP of 1.93, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-(2-methoxyethyl)amino]-N,N-dimethylacetamide is sourced from PubChem (CID 52675924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).