3-[(2,6-dichlorophenyl)methyl]-N-(2-methyl-2-morpholin-4-ylpropyl)-1,2,4-oxadiazole-5-carboxamide

C18H22Cl2N4O3 — CID 51053987

IUPAC3-[(2,6-dichlorophenyl)methyl]-N-(2-methyl-2-morpholin-4-ylpropyl)-1,2,4-oxadiazole-5-carboxamide
SMILESCC(C)(CNC(=O)c1nc(Cc2c(Cl)cccc2Cl)no1)N1CCOCC1
InChIInChI=1S/C18H22Cl2N4O3/c1-18(2,24-6-8-26-9-7-24)11-21-16(25)17-22-15(23-27-17)10-12-13(19)4-3-5-14(12)20/h3-5H,6-11H2,1-2H3,(H,21,25)
InChIKeyVYFYEFSWLCVAPT-UHFFFAOYSA-N
MW413.31 g/mol
LogP2.81
Rot. Bonds6

About 3-[(2,6-dichlorophenyl)methyl]-N-(2-methyl-2-morpholin-4-ylpropyl)-1,2,4-oxadiazole-5-carboxamide

3-[(2,6-dichlorophenyl)methyl]-N-(2-methyl-2-morpholin-4-ylpropyl)-1,2,4-oxadiazole-5-carboxamide (PubChem CID 51053987) has the molecular formula C18H22Cl2N4O3 and a molecular weight of 413.31 g/mol. Its IUPAC name is 3-[(2,6-dichlorophenyl)methyl]-N-(2-methyl-2-morpholin-4-ylpropyl)-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-[(2,6-dichlorophenyl)methyl]-N-(2-methyl-2-morpholin-4-ylpropyl)-1,2,4-oxadiazole-5-carboxamide
PubChem CID51053987
Molecular FormulaC18H22Cl2N4O3
Molecular Weight413.31 g/mol
Exact Mass412.11
IUPAC Name3-[(2,6-dichlorophenyl)methyl]-N-(2-methyl-2-morpholin-4-ylpropyl)-1,2,4-oxadiazole-5-carboxamide
SMILESCC(C)(CNC(=O)c1nc(Cc2c(Cl)cccc2Cl)no1)N1CCOCC1
InChIInChI=1S/C18H22Cl2N4O3/c1-18(2,24-6-8-26-9-7-24)11-21-16(25)17-22-15(23-27-17)10-12-13(19)4-3-5-14(12)20/h3-5H,6-11H2,1-2H3,(H,21,25)
InChIKeyVYFYEFSWLCVAPT-UHFFFAOYSA-N
XLogP2.81
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.31
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[(2,6-dichlorophenyl)methyl]-N-(2-methyl-2-morpholin-4-ylpropyl)-1,2,4-oxadiazole-5-carboxamide with MolForge

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Related Compounds

N-[(2,6-dichlorophenyl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine
CID 29285730
N-(2-methyl-2-morpholin-4-ylpropyl)quinoline-8-carboxamide
CID 17459698
2-(2-chloroanilino)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 51252333
4-tert-butyl-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide
CID 51163379
3-(chloromethyl)-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide
CID 61251148
1-hydroxy-N-(2-methyl-2-morpholin-4-ylpropyl)naphthalene-2-carboxamide
CID 47011963
2-ethoxy-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide
CID 51173152
3-[6-[(1R)-1-hydroxyethyl]-2-pyridinyl]-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide
CID 125443212
5-chloro-N-(2-methyl-2-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide
CID 51219508
N-(2-methyl-2-morpholin-4-ylpropyl)-3-methylsulfonylbenzamide
CID 51163346
N-(2-methyl-2-morpholin-4-ylpropyl)-5-(methylsulfamoyl)furan-2-carboxamide
CID 55648055
N-(2-methyl-2-morpholin-4-ylpropyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 4882501

Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-dichlorophenyl)methyl]-N-(2-methyl-2-morpholin-4-ylpropyl)-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-[(2,6-dichlorophenyl)methyl]-N-(2-methyl-2-morpholin-4-ylpropyl)-1,2,4-oxadiazole-5-carboxamide (CID 51053987) is 3-[(2,6-dichlorophenyl)methyl]-N-(2-methyl-2-morpholin-4-ylpropyl)-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-[(2,6-dichlorophenyl)methyl]-N-(2-methyl-2-morpholin-4-ylpropyl)-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-[(2,6-dichlorophenyl)methyl]-N-(2-methyl-2-morpholin-4-ylpropyl)-1,2,4-oxadiazole-5-carboxamide is CC(C)(CNC(=O)c1nc(Cc2c(Cl)cccc2Cl)no1)N1CCOCC1.
What is the InChIKey of 3-[(2,6-dichlorophenyl)methyl]-N-(2-methyl-2-morpholin-4-ylpropyl)-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is VYFYEFSWLCVAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22Cl2N4O3/c1-18(2,24-6-8-26-9-7-24)11-21-16(25)17-22-15(23-27-17)10-12-13(19)4-3-5-14(12)20/h3-5H,6-11H2,1-2H3,(H,21,25).
What are the key properties of 3-[(2,6-dichlorophenyl)methyl]-N-(2-methyl-2-morpholin-4-ylpropyl)-1,2,4-oxadiazole-5-carboxamide?
3-[(2,6-dichlorophenyl)methyl]-N-(2-methyl-2-morpholin-4-ylpropyl)-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 413.31 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-dichlorophenyl)methyl]-N-(2-methyl-2-morpholin-4-ylpropyl)-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 51053987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).