N-(5-chloro-2-methoxyphenyl)-2-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]acetamide

C21H23ClN4O3 — CID 9039208

IUPACN-(5-chloro-2-methoxyphenyl)-2-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]acetamide
SMILESCCc1ccc(-c2noc(CN(C)CC(=O)Nc3cc(Cl)ccc3OC)n2)cc1
InChIInChI=1S/C21H23ClN4O3/c1-4-14-5-7-15(8-6-14)21-24-20(29-25-21)13-26(2)12-19(27)23-17-11-16(22)9-10-18(17)28-3/h5-11H,4,12-13H2,1-3H3,(H,23,27)
InChIKeyBLFLFRGKQAJHGQ-UHFFFAOYSA-N
MW414.89 g/mol
LogP4.03
Rot. Bonds8

About N-(5-chloro-2-methoxyphenyl)-2-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]acetamide

N-(5-chloro-2-methoxyphenyl)-2-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]acetamide (PubChem CID 9039208) has the molecular formula C21H23ClN4O3 and a molecular weight of 414.89 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]acetamide
PubChem CID9039208
Molecular FormulaC21H23ClN4O3
Molecular Weight414.89 g/mol
Exact Mass414.15
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]acetamide
SMILESCCc1ccc(-c2noc(CN(C)CC(=O)Nc3cc(Cl)ccc3OC)n2)cc1
InChIInChI=1S/C21H23ClN4O3/c1-4-14-5-7-15(8-6-14)21-24-20(29-25-21)13-26(2)12-19(27)23-17-11-16(22)9-10-18(17)28-3/h5-11H,4,12-13H2,1-3H3,(H,23,27)
InChIKeyBLFLFRGKQAJHGQ-UHFFFAOYSA-N
XLogP4.03
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.89
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]acetamide
CID 4792677
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide
CID 55500294
N-(5-chloro-2-methoxyphenyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 31066407
N-(5-chloro-2-methoxyphenyl)-2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetamide
CID 20912675
2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 16566199
N-(5-chloro-2-methoxyphenyl)-2-[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]acetamide
CID 31779237
N-(5-chloro-2-methoxyphenyl)-2-[[2-(2,6-diethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 9222409
N-(5-chloro-2-methoxyphenyl)-2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]acetamide
CID 8550831
N-(2,5-dimethoxyphenyl)-2-[(4-ethylphenyl)methyl-methylamino]acetamide
CID 8907896
5-chloro-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxy-N-methylbenzamide
CID 8875250
3-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]propanoic acid;hydrochloride
CID 119912306
2-[(4-bromo-2,5-dimethoxyphenyl)methyl-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 17439790

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]acetamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]acetamide (CID 9039208) is N-(5-chloro-2-methoxyphenyl)-2-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]acetamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]acetamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]acetamide is CCc1ccc(-c2noc(CN(C)CC(=O)Nc3cc(Cl)ccc3OC)n2)cc1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]acetamide?
The InChIKey is BLFLFRGKQAJHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O3/c1-4-14-5-7-15(8-6-14)21-24-20(29-25-21)13-26(2)12-19(27)23-17-11-16(22)9-10-18(17)28-3/h5-11H,4,12-13H2,1-3H3,(H,23,27).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]acetamide?
N-(5-chloro-2-methoxyphenyl)-2-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]acetamide has a molecular weight of 414.89 g/mol, XLogP of 4.03, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]acetamide is sourced from PubChem (CID 9039208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).