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

C21H23ClN4O2 — CID 55410713

IUPAC2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CN(C)Cc2nnc(-c3ccccc3Cl)o2)c(C)c1
InChIInChI=1S/C21H23ClN4O2/c1-13-9-14(2)20(15(3)10-13)23-18(27)11-26(4)12-19-24-25-21(28-19)16-7-5-6-8-17(16)22/h5-10H,11-12H2,1-4H3,(H,23,27)
InChIKeyWZCOJLMAXSSVKI-UHFFFAOYSA-N
MW398.89 g/mol
LogP4.39
Rot. Bonds6

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

2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 55410713) has the molecular formula C21H23ClN4O2 and a molecular weight of 398.89 g/mol. Its IUPAC name is 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID55410713
Molecular FormulaC21H23ClN4O2
Molecular Weight398.89 g/mol
Exact Mass398.15
IUPAC Name2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CN(C)Cc2nnc(-c3ccccc3Cl)o2)c(C)c1
InChIInChI=1S/C21H23ClN4O2/c1-13-9-14(2)20(15(3)10-13)23-18(27)11-26(4)12-19-24-25-21(28-19)16-7-5-6-8-17(16)22/h5-10H,11-12H2,1-4H3,(H,23,27)
InChIKeyWZCOJLMAXSSVKI-UHFFFAOYSA-N
XLogP4.39
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.89
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]acetate
CID 60670430
N-(2-chlorophenyl)-2-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]acetamide
CID 9254768
2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-N-(4-methylphenyl)acetamide
CID 8785340
2-[methyl-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 34136028
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 78825031
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N,3-dimethylaniline
CID 45106047
N-(2,3-dichlorophenyl)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide
CID 9339279
2-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 9043871
2-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]acetamide
CID 47395100
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-2-methylpropanoic acid
CID 62821774
2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-phenylacetamide
CID 9339160
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-(4-cyanophenyl)acetamide
CID 112800914

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide (CID 55410713) is 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide is Cc1cc(C)c(NC(=O)CN(C)Cc2nnc(-c3ccccc3Cl)o2)c(C)c1.
What is the InChIKey of 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is WZCOJLMAXSSVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O2/c1-13-9-14(2)20(15(3)10-13)23-18(27)11-26(4)12-19-24-25-21(28-19)16-7-5-6-8-17(16)22/h5-10H,11-12H2,1-4H3,(H,23,27).
What are the key properties of 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide?
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 398.89 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 55410713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).