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

C20H19ClN4O3 — CID 46376628

IUPACN-benzyl-3-[2-[(3-chlorobenzoyl)-methylamino]ethyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCN(CCc1noc(C(=O)NCc2ccccc2)n1)C(=O)c1cccc(Cl)c1
InChIInChI=1S/C20H19ClN4O3/c1-25(20(27)15-8-5-9-16(21)12-15)11-10-17-23-19(28-24-17)18(26)22-13-14-6-3-2-4-7-14/h2-9,12H,10-11,13H2,1H3,(H,22,26)
InChIKeyAOBSOCRLAUBNBF-UHFFFAOYSA-N
MW398.85 g/mol
LogP2.97
Rot. Bonds7

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

N-benzyl-3-[2-[(3-chlorobenzoyl)-methylamino]ethyl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 46376628) has the molecular formula C20H19ClN4O3 and a molecular weight of 398.85 g/mol. Its IUPAC name is N-benzyl-3-[2-[(3-chlorobenzoyl)-methylamino]ethyl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-3-[2-[(3-chlorobenzoyl)-methylamino]ethyl]-1,2,4-oxadiazole-5-carboxamide
PubChem CID46376628
Molecular FormulaC20H19ClN4O3
Molecular Weight398.85 g/mol
Exact Mass398.11
IUPAC NameN-benzyl-3-[2-[(3-chlorobenzoyl)-methylamino]ethyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCN(CCc1noc(C(=O)NCc2ccccc2)n1)C(=O)c1cccc(Cl)c1
InChIInChI=1S/C20H19ClN4O3/c1-25(20(27)15-8-5-9-16(21)12-15)11-10-17-23-19(28-24-17)18(26)22-13-14-6-3-2-4-7-14/h2-9,12H,10-11,13H2,1H3,(H,22,26)
InChIKeyAOBSOCRLAUBNBF-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-[(4-chlorobenzoyl)-methylamino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 50818937
N-benzyl-3-[2-[(4-chlorophenyl)carbamoyl-methylamino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 50818782
N-benzyl-3-[2-[methyl-[2-(3-methylphenoxy)acetyl]amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 50818849
3-chloro-N-[2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-N-methylbenzamide
CID 53055744
N-benzyl-3-[2-[(4-ethoxyphenyl)carbamoyl-methylamino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 50818923
3-[(2-acetamidophenoxy)methyl]-N-[(3-chlorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 45495301
N-(1,3-benzodioxol-5-ylmethyl)-3-[2-[(2,5-dichlorophenyl)carbamoyl-methylamino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 46376633
N-benzyl-3-(3-methylphenyl)-1,2,4-oxadiazole-5-carboxamide
CID 6471451
3-[methyl(2-phenylethyl)carbamoyl]benzoic acid
CID 65487165
3-benzyl-1-methyl-1-[2-[5-[(3-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]urea
CID 53055373
1-N-(3-chlorophenyl)-3-N-methyl-3-N-(2-pyridin-4-ylethyl)benzene-1,3-dicarboxamide
CID 109055552
N-benzyl-3-[2-(4-methoxyphenyl)sulfonylethyl]-1,2,4-oxadiazole-5-carboxamide
CID 53133962

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[2-[(3-chlorobenzoyl)-methylamino]ethyl]-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of N-benzyl-3-[2-[(3-chlorobenzoyl)-methylamino]ethyl]-1,2,4-oxadiazole-5-carboxamide (CID 46376628) is N-benzyl-3-[2-[(3-chlorobenzoyl)-methylamino]ethyl]-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for N-benzyl-3-[2-[(3-chlorobenzoyl)-methylamino]ethyl]-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for N-benzyl-3-[2-[(3-chlorobenzoyl)-methylamino]ethyl]-1,2,4-oxadiazole-5-carboxamide is CN(CCc1noc(C(=O)NCc2ccccc2)n1)C(=O)c1cccc(Cl)c1.
What is the InChIKey of N-benzyl-3-[2-[(3-chlorobenzoyl)-methylamino]ethyl]-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is AOBSOCRLAUBNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O3/c1-25(20(27)15-8-5-9-16(21)12-15)11-10-17-23-19(28-24-17)18(26)22-13-14-6-3-2-4-7-14/h2-9,12H,10-11,13H2,1H3,(H,22,26).
What are the key properties of N-benzyl-3-[2-[(3-chlorobenzoyl)-methylamino]ethyl]-1,2,4-oxadiazole-5-carboxamide?
N-benzyl-3-[2-[(3-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-[(3-chlorobenzoyl)-methylamino]ethyl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 46376628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).