2-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]-N-(2,6-dichlorophenyl)acetamide

C16H20Cl2N4O2 — CID 47070086

IUPAC2-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]-N-(2,6-dichlorophenyl)acetamide
SMILESCCCCc1nc(CN(C)CC(=O)Nc2c(Cl)cccc2Cl)no1
InChIInChI=1S/C16H20Cl2N4O2/c1-3-4-8-15-19-13(21-24-15)9-22(2)10-14(23)20-16-11(17)6-5-7-12(16)18/h5-7H,3-4,8-10H2,1-2H3,(H,20,23)
InChIKeyATGIDHAQVKLYHH-UHFFFAOYSA-N
MW371.27 g/mol
LogP3.79
Rot. Bonds8

About 2-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]-N-(2,6-dichlorophenyl)acetamide

2-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]-N-(2,6-dichlorophenyl)acetamide (PubChem CID 47070086) has the molecular formula C16H20Cl2N4O2 and a molecular weight of 371.27 g/mol. Its IUPAC name is 2-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]-N-(2,6-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]-N-(2,6-dichlorophenyl)acetamide
PubChem CID47070086
Molecular FormulaC16H20Cl2N4O2
Molecular Weight371.27 g/mol
Exact Mass370.10
IUPAC Name2-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]-N-(2,6-dichlorophenyl)acetamide
SMILESCCCCc1nc(CN(C)CC(=O)Nc2c(Cl)cccc2Cl)no1
InChIInChI=1S/C16H20Cl2N4O2/c1-3-4-8-15-19-13(21-24-15)9-22(2)10-14(23)20-16-11(17)6-5-7-12(16)18/h5-7H,3-4,8-10H2,1-2H3,(H,20,23)
InChIKeyATGIDHAQVKLYHH-UHFFFAOYSA-N
XLogP3.79
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.27
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,6-dichlorophenyl)-2-[methyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]amino]acetamide
CID 18146935
N-(2,6-dichlorophenyl)-2-[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetamide
CID 55525642
2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]-N-(3-chlorophenyl)acetamide;hydrochloride
CID 120751211
2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(2,6-dichlorophenyl)acetamide
CID 2699425
2-(5-propyl-1,2,4-oxadiazol-3-yl)-N-(2,4,6-trichlorophenyl)acetamide
CID 20528786
N-(2,6-dichlorophenyl)-2-[3-hydroxypropyl(methyl)amino]acetamide
CID 51225789
N-(2,6-dichlorophenyl)-2-(dimethylamino)acetamide
CID 9255062
2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]-N-(3-fluorophenyl)acetamide
CID 120750559
2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]-N-(4-methylphenyl)acetamide
CID 120750434
N-(2,6-dichlorophenyl)-2-[methyl-[(2-phenyl-1,3-thiazol-4-yl)methyl]amino]acetamide
CID 9287323
N-(2,6-dichlorophenyl)-2-[methyl-[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]amino]acetamide
CID 8559545
N-(2,6-dichlorophenyl)-2-[methyl-[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl]amino]acetamide
CID 8559536

Frequently Asked Questions

What is the IUPAC name of 2-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]-N-(2,6-dichlorophenyl)acetamide?
The IUPAC name of 2-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]-N-(2,6-dichlorophenyl)acetamide (CID 47070086) is 2-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]-N-(2,6-dichlorophenyl)acetamide.
What is the SMILES notation for 2-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]-N-(2,6-dichlorophenyl)acetamide?
The canonical SMILES for 2-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]-N-(2,6-dichlorophenyl)acetamide is CCCCc1nc(CN(C)CC(=O)Nc2c(Cl)cccc2Cl)no1.
What is the InChIKey of 2-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]-N-(2,6-dichlorophenyl)acetamide?
The InChIKey is ATGIDHAQVKLYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2N4O2/c1-3-4-8-15-19-13(21-24-15)9-22(2)10-14(23)20-16-11(17)6-5-7-12(16)18/h5-7H,3-4,8-10H2,1-2H3,(H,20,23).
What are the key properties of 2-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]-N-(2,6-dichlorophenyl)acetamide?
2-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]-N-(2,6-dichlorophenyl)acetamide has a molecular weight of 371.27 g/mol, XLogP of 3.79, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]-N-(2,6-dichlorophenyl)acetamide is sourced from PubChem (CID 47070086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).