N-benzyl-3-[2-[(4-chlorobenzoyl)-methylamino]ethyl]-1,2,4-oxadiazole-5-carboxamide

C20H19ClN4O3 — CID 50818937

IUPACN-benzyl-3-[2-[(4-chlorobenzoyl)-methylamino]ethyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCN(CCc1noc(C(=O)NCc2ccccc2)n1)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H19ClN4O3/c1-25(20(27)15-7-9-16(21)10-8-15)12-11-17-23-19(28-24-17)18(26)22-13-14-5-3-2-4-6-14/h2-10H,11-13H2,1H3,(H,22,26)
InChIKeyDWQNCXRVSVIXIY-UHFFFAOYSA-N
MW398.85 g/mol
LogP2.97
Rot. Bonds7

About N-benzyl-3-[2-[(4-chlorobenzoyl)-methylamino]ethyl]-1,2,4-oxadiazole-5-carboxamide

N-benzyl-3-[2-[(4-chlorobenzoyl)-methylamino]ethyl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 50818937) has the molecular formula C20H19ClN4O3 and a molecular weight of 398.85 g/mol. Its IUPAC name is N-benzyl-3-[2-[(4-chlorobenzoyl)-methylamino]ethyl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-3-[2-[(4-chlorobenzoyl)-methylamino]ethyl]-1,2,4-oxadiazole-5-carboxamide
PubChem CID50818937
Molecular FormulaC20H19ClN4O3
Molecular Weight398.85 g/mol
Exact Mass398.11
IUPAC NameN-benzyl-3-[2-[(4-chlorobenzoyl)-methylamino]ethyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCN(CCc1noc(C(=O)NCc2ccccc2)n1)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H19ClN4O3/c1-25(20(27)15-7-9-16(21)10-8-15)12-11-17-23-19(28-24-17)18(26)22-13-14-5-3-2-4-6-14/h2-10H,11-13H2,1H3,(H,22,26)
InChIKeyDWQNCXRVSVIXIY-UHFFFAOYSA-N
XLogP2.97
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.85
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-3-[2-[(3-chlorobenzoyl)-methylamino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 46376628
N-benzyl-3-[2-[(4-chlorophenyl)carbamoyl-methylamino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 50818782
N-benzyl-3-[2-[(4-ethoxyphenyl)carbamoyl-methylamino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 50818923
N-benzyl-3-[2-[methyl-[2-(3-methylphenoxy)acetyl]amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 50818849
N-[2-[5-[(4-chlorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]-N,4-dimethylbenzamide
CID 53055730
N-(1,3-benzodioxol-5-ylmethyl)-3-[2-[(2,5-dichlorophenyl)carbamoyl-methylamino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 46376633
3-[2-(4-chlorophenyl)sulfonylethyl]-N-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 53133847
N-[(4-chlorophenyl)methyl]-3-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
CID 42569706
N-benzyl-3-[2-(4-methoxyphenyl)sulfonylethyl]-1,2,4-oxadiazole-5-carboxamide
CID 53133962
N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzamide
CID 53055634
3-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methyl-1-(3-phenylpropyl)urea
CID 166186451
ethane;N-methyl-N-(2-phenylethyl)benzamide
CID 143447769

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[2-[(4-chlorobenzoyl)-methylamino]ethyl]-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of N-benzyl-3-[2-[(4-chlorobenzoyl)-methylamino]ethyl]-1,2,4-oxadiazole-5-carboxamide (CID 50818937) is N-benzyl-3-[2-[(4-chlorobenzoyl)-methylamino]ethyl]-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for N-benzyl-3-[2-[(4-chlorobenzoyl)-methylamino]ethyl]-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for N-benzyl-3-[2-[(4-chlorobenzoyl)-methylamino]ethyl]-1,2,4-oxadiazole-5-carboxamide is CN(CCc1noc(C(=O)NCc2ccccc2)n1)C(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-benzyl-3-[2-[(4-chlorobenzoyl)-methylamino]ethyl]-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is DWQNCXRVSVIXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O3/c1-25(20(27)15-7-9-16(21)10-8-15)12-11-17-23-19(28-24-17)18(26)22-13-14-5-3-2-4-6-14/h2-10H,11-13H2,1H3,(H,22,26).
What are the key properties of N-benzyl-3-[2-[(4-chlorobenzoyl)-methylamino]ethyl]-1,2,4-oxadiazole-5-carboxamide?
N-benzyl-3-[2-[(4-chlorobenzoyl)-methylamino]ethyl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 398.85 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[2-[(4-chlorobenzoyl)-methylamino]ethyl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 50818937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).