3-[(2,6-dichlorophenyl)methyl]-N-[2-(2-methoxyethylamino)-2-oxoethyl]-1,2,4-oxadiazole-5-carboxamide

C15H16Cl2N4O4 — CID 51053236

IUPAC3-[(2,6-dichlorophenyl)methyl]-N-[2-(2-methoxyethylamino)-2-oxoethyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCOCCNC(=O)CNC(=O)c1nc(Cc2c(Cl)cccc2Cl)no1
InChIInChI=1S/C15H16Cl2N4O4/c1-24-6-5-18-13(22)8-19-14(23)15-20-12(21-25-15)7-9-10(16)3-2-4-11(9)17/h2-4H,5-8H2,1H3,(H,18,22)(H,19,23)
InChIKeyDOUKPJNSKKZEMV-UHFFFAOYSA-N
MW387.22 g/mol
LogP1.46
Rot. Bonds8

About 3-[(2,6-dichlorophenyl)methyl]-N-[2-(2-methoxyethylamino)-2-oxoethyl]-1,2,4-oxadiazole-5-carboxamide

3-[(2,6-dichlorophenyl)methyl]-N-[2-(2-methoxyethylamino)-2-oxoethyl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 51053236) has the molecular formula C15H16Cl2N4O4 and a molecular weight of 387.22 g/mol. Its IUPAC name is 3-[(2,6-dichlorophenyl)methyl]-N-[2-(2-methoxyethylamino)-2-oxoethyl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-[(2,6-dichlorophenyl)methyl]-N-[2-(2-methoxyethylamino)-2-oxoethyl]-1,2,4-oxadiazole-5-carboxamide
PubChem CID51053236
Molecular FormulaC15H16Cl2N4O4
Molecular Weight387.22 g/mol
Exact Mass386.05
IUPAC Name3-[(2,6-dichlorophenyl)methyl]-N-[2-(2-methoxyethylamino)-2-oxoethyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCOCCNC(=O)CNC(=O)c1nc(Cc2c(Cl)cccc2Cl)no1
InChIInChI=1S/C15H16Cl2N4O4/c1-24-6-5-18-13(22)8-19-14(23)15-20-12(21-25-15)7-9-10(16)3-2-4-11(9)17/h2-4H,5-8H2,1H3,(H,18,22)(H,19,23)
InChIKeyDOUKPJNSKKZEMV-UHFFFAOYSA-N
XLogP1.46
TPSA106.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.22
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-dichlorophenyl)methyl]-N-[2-(2-methoxyethylamino)-2-oxoethyl]-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-[(2,6-dichlorophenyl)methyl]-N-[2-(2-methoxyethylamino)-2-oxoethyl]-1,2,4-oxadiazole-5-carboxamide (CID 51053236) is 3-[(2,6-dichlorophenyl)methyl]-N-[2-(2-methoxyethylamino)-2-oxoethyl]-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-[(2,6-dichlorophenyl)methyl]-N-[2-(2-methoxyethylamino)-2-oxoethyl]-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-[(2,6-dichlorophenyl)methyl]-N-[2-(2-methoxyethylamino)-2-oxoethyl]-1,2,4-oxadiazole-5-carboxamide is COCCNC(=O)CNC(=O)c1nc(Cc2c(Cl)cccc2Cl)no1.
What is the InChIKey of 3-[(2,6-dichlorophenyl)methyl]-N-[2-(2-methoxyethylamino)-2-oxoethyl]-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is DOUKPJNSKKZEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N4O4/c1-24-6-5-18-13(22)8-19-14(23)15-20-12(21-25-15)7-9-10(16)3-2-4-11(9)17/h2-4H,5-8H2,1H3,(H,18,22)(H,19,23).
What are the key properties of 3-[(2,6-dichlorophenyl)methyl]-N-[2-(2-methoxyethylamino)-2-oxoethyl]-1,2,4-oxadiazole-5-carboxamide?
3-[(2,6-dichlorophenyl)methyl]-N-[2-(2-methoxyethylamino)-2-oxoethyl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 387.22 g/mol, XLogP of 1.46, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-dichlorophenyl)methyl]-N-[2-(2-methoxyethylamino)-2-oxoethyl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 51053236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).