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

C22H25ClN4O2 — CID 55410520

IUPAC2-[1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CN(C)C(C)c2nnc(-c3cccc(Cl)c3)o2)c(C)c1
InChIInChI=1S/C22H25ClN4O2/c1-13-9-14(2)20(15(3)10-13)24-19(28)12-27(5)16(4)21-25-26-22(29-21)17-7-6-8-18(23)11-17/h6-11,16H,12H2,1-5H3,(H,24,28)
InChIKeyQZLUDHGTAFWCFE-UHFFFAOYSA-N
MW412.92 g/mol
LogP4.95
Rot. Bonds6

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

2-[1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 55410520) has the molecular formula C22H25ClN4O2 and a molecular weight of 412.92 g/mol. Its IUPAC name is 2-[1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID55410520
Molecular FormulaC22H25ClN4O2
Molecular Weight412.92 g/mol
Exact Mass412.17
IUPAC Name2-[1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CN(C)C(C)c2nnc(-c3cccc(Cl)c3)o2)c(C)c1
InChIInChI=1S/C22H25ClN4O2/c1-13-9-14(2)20(15(3)10-13)24-19(28)12-27(5)16(4)21-25-26-22(29-21)17-7-6-8-18(23)11-17/h6-11,16H,12H2,1-5H3,(H,24,28)
InChIKeyQZLUDHGTAFWCFE-UHFFFAOYSA-N
XLogP4.95
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.92
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-tert-butyl-2-[methyl-[(1R)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]amino]acetamide
CID 8768310
N-(3-methoxyphenyl)-2-[methyl-[(1R)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]amino]acetamide
CID 8556130
N-(4-bromo-2-methylphenyl)-2-[methyl-[1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]amino]acetamide
CID 55387396
2-[methyl-[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]amino]-N-(2-methylsulfanylphenyl)acetamide
CID 40880670
(1S)-1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-methyl-N-[2-(2-methylphenoxy)ethyl]ethanamine
CID 52520727
N-(4-chlorophenyl)-2-[[(1S)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-methylamino]acetamide
CID 8816381
2-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 9043871
[(1S)-1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 8786329
1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-methyl-N-(oxan-2-ylmethyl)ethanamine
CID 127386626
N-ethyl-2-[ethyl-[(1R)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]amino]acetamide
CID 8683321
2-(N-acetyl-3-chloroanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 113171389
2-[methyl-[1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 46567470

Frequently Asked Questions

What is the IUPAC name of 2-[1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-[1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide (CID 55410520) is 2-[1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-[1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-[1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide is Cc1cc(C)c(NC(=O)CN(C)C(C)c2nnc(-c3cccc(Cl)c3)o2)c(C)c1.
What is the InChIKey of 2-[1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is QZLUDHGTAFWCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4O2/c1-13-9-14(2)20(15(3)10-13)24-19(28)12-27(5)16(4)21-25-26-22(29-21)17-7-6-8-18(23)11-17/h6-11,16H,12H2,1-5H3,(H,24,28).
What are the key properties of 2-[1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide?
2-[1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 412.92 g/mol, XLogP of 4.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 55410520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).