5-[(2-chlorophenyl)methyl]-N-(2-methoxyethyl)-1,3,4-oxadiazole-2-carboxamide

C13H14ClN3O3 — CID 22431933

IUPAC5-[(2-chlorophenyl)methyl]-N-(2-methoxyethyl)-1,3,4-oxadiazole-2-carboxamide
SMILESCOCCNC(=O)c1nnc(Cc2ccccc2Cl)o1
InChIInChI=1S/C13H14ClN3O3/c1-19-7-6-15-12(18)13-17-16-11(20-13)8-9-4-2-3-5-10(9)14/h2-5H,6-8H2,1H3,(H,15,18)
InChIKeyQKPMWGCBKIUQGB-UHFFFAOYSA-N
MW295.73 g/mol
LogP1.69
Rot. Bonds6

About 5-[(2-chlorophenyl)methyl]-N-(2-methoxyethyl)-1,3,4-oxadiazole-2-carboxamide

5-[(2-chlorophenyl)methyl]-N-(2-methoxyethyl)-1,3,4-oxadiazole-2-carboxamide (PubChem CID 22431933) has the molecular formula C13H14ClN3O3 and a molecular weight of 295.73 g/mol. Its IUPAC name is 5-[(2-chlorophenyl)methyl]-N-(2-methoxyethyl)-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound Name5-[(2-chlorophenyl)methyl]-N-(2-methoxyethyl)-1,3,4-oxadiazole-2-carboxamide
PubChem CID22431933
Molecular FormulaC13H14ClN3O3
Molecular Weight295.73 g/mol
Exact Mass295.07
IUPAC Name5-[(2-chlorophenyl)methyl]-N-(2-methoxyethyl)-1,3,4-oxadiazole-2-carboxamide
SMILESCOCCNC(=O)c1nnc(Cc2ccccc2Cl)o1
InChIInChI=1S/C13H14ClN3O3/c1-19-7-6-15-12(18)13-17-16-11(20-13)8-9-4-2-3-5-10(9)14/h2-5H,6-8H2,1H3,(H,15,18)
InChIKeyQKPMWGCBKIUQGB-UHFFFAOYSA-N
XLogP1.69
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.73
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[(2-chlorophenyl)methyl]-N-(2-hydroxyethyl)-1,3,4-oxadiazole-2-carboxamide
CID 22431940
5-[(2-chlorophenyl)methyl]-N-(3-ethoxypropyl)-1,3,4-oxadiazole-2-carboxamide
CID 22431946
5-[(2-chlorophenyl)methyl]-N-[2-(3,4-diethoxyphenyl)ethyl]-1,3,4-oxadiazole-2-carboxamide
CID 22431914
5-benzyl-N-[(2-chlorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
CID 110393203
5-[(2-chlorophenyl)methyl]-N-cyclooctyl-1,3,4-oxadiazole-2-carboxamide
CID 22431938
N-(2-methoxyethyl)-5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide
CID 110393376
5-[(2-methoxyphenyl)methyl]-N-propyl-1,3,4-oxadiazole-2-carboxamide
CID 22520113
N-[2-(4-chlorophenyl)ethyl]-5-[(2-methoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
CID 22431580
5-(1,3-benzodioxol-5-ylmethyl)-N-(2-methoxyethyl)-1,3,4-oxadiazole-2-carboxamide
CID 22431900
N'-[(2-chlorophenyl)methyl]-N-(2-methoxyethyl)oxamide
CID 44996627
N-benzyl-5-[(2,4-dichlorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
CID 22431605
5-[(2-methoxyphenyl)methyl]-N-[2-(4-methylphenyl)ethyl]-1,3,4-oxadiazole-2-carboxamide
CID 22431824

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorophenyl)methyl]-N-(2-methoxyethyl)-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of 5-[(2-chlorophenyl)methyl]-N-(2-methoxyethyl)-1,3,4-oxadiazole-2-carboxamide (CID 22431933) is 5-[(2-chlorophenyl)methyl]-N-(2-methoxyethyl)-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for 5-[(2-chlorophenyl)methyl]-N-(2-methoxyethyl)-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for 5-[(2-chlorophenyl)methyl]-N-(2-methoxyethyl)-1,3,4-oxadiazole-2-carboxamide is COCCNC(=O)c1nnc(Cc2ccccc2Cl)o1.
What is the InChIKey of 5-[(2-chlorophenyl)methyl]-N-(2-methoxyethyl)-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is QKPMWGCBKIUQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O3/c1-19-7-6-15-12(18)13-17-16-11(20-13)8-9-4-2-3-5-10(9)14/h2-5H,6-8H2,1H3,(H,15,18).
What are the key properties of 5-[(2-chlorophenyl)methyl]-N-(2-methoxyethyl)-1,3,4-oxadiazole-2-carboxamide?
5-[(2-chlorophenyl)methyl]-N-(2-methoxyethyl)-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 295.73 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorophenyl)methyl]-N-(2-methoxyethyl)-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 22431933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).