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

C16H18Cl2N4O4 — CID 42769251

IUPAC2-[(3,4-dichlorophenyl)carbamoyl-(2-methoxyethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCOCCN(CC(=O)Nc1cc(C)on1)C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H18Cl2N4O4/c1-10-7-14(21-26-10)20-15(23)9-22(5-6-25-2)16(24)19-11-3-4-12(17)13(18)8-11/h3-4,7-8H,5-6,9H2,1-2H3,(H,19,24)(H,20,21,23)
InChIKeyOCBZGTYSNWVAIN-UHFFFAOYSA-N
MW401.25 g/mol
LogP3.41
Rot. Bonds7

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

2-[(3,4-dichlorophenyl)carbamoyl-(2-methoxyethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 42769251) has the molecular formula C16H18Cl2N4O4 and a molecular weight of 401.25 g/mol. Its IUPAC name is 2-[(3,4-dichlorophenyl)carbamoyl-(2-methoxyethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[(3,4-dichlorophenyl)carbamoyl-(2-methoxyethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID42769251
Molecular FormulaC16H18Cl2N4O4
Molecular Weight401.25 g/mol
Exact Mass400.07
IUPAC Name2-[(3,4-dichlorophenyl)carbamoyl-(2-methoxyethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCOCCN(CC(=O)Nc1cc(C)on1)C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H18Cl2N4O4/c1-10-7-14(21-26-10)20-15(23)9-22(5-6-25-2)16(24)19-11-3-4-12(17)13(18)8-11/h3-4,7-8H,5-6,9H2,1-2H3,(H,19,24)(H,20,21,23)
InChIKeyOCBZGTYSNWVAIN-UHFFFAOYSA-N
XLogP3.41
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.25
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-methoxypropyl-[(4-methylphenyl)carbamoyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 4165943
2-[dimethylcarbamoyl(2-methoxyethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 42768964
2-[[2-(4-chlorophenoxy)acetyl]-(2-methoxyethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 42768959
2-[(3-chlorophenyl)carbamoyl-(3-ethoxypropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 4129176
1-N-(3,4-dichlorophenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-dicarboxamide
CID 109050241
N-(2-methoxyethyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]naphthalene-2-carboxamide
CID 42768952
N-(3-methoxypropyl)-4-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 3339655
N-(3-methoxypropyl)-2-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 3524677
ethyl 2-[[3-methoxypropyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]carbamoyl]amino]acetate
CID 3475616
2-[(2,3-dichlorophenyl)carbamoyl-(3-ethoxypropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 5101637
N-(3,4-dichlorophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide
CID 109042633
2-[(2,3-dimethylphenyl)carbamoyl-(3-ethoxypropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 3561257

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dichlorophenyl)carbamoyl-(2-methoxyethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[(3,4-dichlorophenyl)carbamoyl-(2-methoxyethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 42769251) is 2-[(3,4-dichlorophenyl)carbamoyl-(2-methoxyethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[(3,4-dichlorophenyl)carbamoyl-(2-methoxyethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[(3,4-dichlorophenyl)carbamoyl-(2-methoxyethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is COCCN(CC(=O)Nc1cc(C)on1)C(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[(3,4-dichlorophenyl)carbamoyl-(2-methoxyethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is OCBZGTYSNWVAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N4O4/c1-10-7-14(21-26-10)20-15(23)9-22(5-6-25-2)16(24)19-11-3-4-12(17)13(18)8-11/h3-4,7-8H,5-6,9H2,1-2H3,(H,19,24)(H,20,21,23).
What are the key properties of 2-[(3,4-dichlorophenyl)carbamoyl-(2-methoxyethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[(3,4-dichlorophenyl)carbamoyl-(2-methoxyethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 401.25 g/mol, XLogP of 3.41, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dichlorophenyl)carbamoyl-(2-methoxyethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 42769251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).