2-[[2-(4-chlorophenoxy)acetyl]-(2-methoxyethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C17H20ClN3O5 — CID 42768959

IUPAC2-[[2-(4-chlorophenoxy)acetyl]-(2-methoxyethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCOCCN(CC(=O)Nc1cc(C)on1)C(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C17H20ClN3O5/c1-12-9-15(20-26-12)19-16(22)10-21(7-8-24-2)17(23)11-25-14-5-3-13(18)4-6-14/h3-6,9H,7-8,10-11H2,1-2H3,(H,19,20,22)
InChIKeyDOOKPGWSESERQZ-UHFFFAOYSA-N
MW381.82 g/mol
LogP2.13
Rot. Bonds9

About 2-[[2-(4-chlorophenoxy)acetyl]-(2-methoxyethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-[[2-(4-chlorophenoxy)acetyl]-(2-methoxyethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 42768959) has the molecular formula C17H20ClN3O5 and a molecular weight of 381.82 g/mol. Its IUPAC name is 2-[[2-(4-chlorophenoxy)acetyl]-(2-methoxyethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[[2-(4-chlorophenoxy)acetyl]-(2-methoxyethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID42768959
Molecular FormulaC17H20ClN3O5
Molecular Weight381.82 g/mol
Exact Mass381.11
IUPAC Name2-[[2-(4-chlorophenoxy)acetyl]-(2-methoxyethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCOCCN(CC(=O)Nc1cc(C)on1)C(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C17H20ClN3O5/c1-12-9-15(20-26-12)19-16(22)10-21(7-8-24-2)17(23)11-25-14-5-3-13(18)4-6-14/h3-6,9H,7-8,10-11H2,1-2H3,(H,19,20,22)
InChIKeyDOOKPGWSESERQZ-UHFFFAOYSA-N
XLogP2.13
TPSA93.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.82
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[2-(4-chlorophenoxy)acetyl]-(2-methylpropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 42768886
N-(5-methyl-1,2-oxazol-3-yl)-2-[(2-phenoxyacetyl)-propylamino]acetamide
CID 4117230
2-[dimethylcarbamoyl(2-methoxyethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 42768964
2-[[2-[[2-(4-chlorophenoxy)acetyl]-(2-methoxyethyl)amino]acetyl]amino]-N-(4-methoxyphenyl)acetamide
CID 4603639
2-[(3,4-dichlorophenyl)carbamoyl-(2-methoxyethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 42769251
2-[[2-(3-chloro-4-fluorophenoxy)acetyl]-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 134002588
N-(2-methoxyethyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]naphthalene-2-carboxamide
CID 42768952
2-[[2-(4-chlorophenoxy)acetyl]-(3-methylbutyl)amino]-N-(1,2-oxazol-3-yl)acetamide
CID 42769178
2-[(2-methoxyacetyl)-(2-methylpropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 42768892
4-chloro-N-[2-(dimethylamino)ethyl]-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 42770323
N-(3-methoxypropyl)-4-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 3339655
4-butoxy-N-butyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 5082068

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-chlorophenoxy)acetyl]-(2-methoxyethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[[2-(4-chlorophenoxy)acetyl]-(2-methoxyethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 42768959) is 2-[[2-(4-chlorophenoxy)acetyl]-(2-methoxyethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[[2-(4-chlorophenoxy)acetyl]-(2-methoxyethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[[2-(4-chlorophenoxy)acetyl]-(2-methoxyethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is COCCN(CC(=O)Nc1cc(C)on1)C(=O)COc1ccc(Cl)cc1.
What is the InChIKey of 2-[[2-(4-chlorophenoxy)acetyl]-(2-methoxyethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is DOOKPGWSESERQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O5/c1-12-9-15(20-26-12)19-16(22)10-21(7-8-24-2)17(23)11-25-14-5-3-13(18)4-6-14/h3-6,9H,7-8,10-11H2,1-2H3,(H,19,20,22).
What are the key properties of 2-[[2-(4-chlorophenoxy)acetyl]-(2-methoxyethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[[2-(4-chlorophenoxy)acetyl]-(2-methoxyethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 381.82 g/mol, XLogP of 2.13, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-chlorophenoxy)acetyl]-(2-methoxyethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 42768959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).