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

C12H12ClN3O3 — CID 22431940

IUPAC5-[(2-chlorophenyl)methyl]-N-(2-hydroxyethyl)-1,3,4-oxadiazole-2-carboxamide
SMILESO=C(NCCO)c1nnc(Cc2ccccc2Cl)o1
InChIInChI=1S/C12H12ClN3O3/c13-9-4-2-1-3-8(9)7-10-15-16-12(19-10)11(18)14-5-6-17/h1-4,17H,5-7H2,(H,14,18)
InChIKeyQIPCWGVGWWVYLA-UHFFFAOYSA-N
MW281.70 g/mol
LogP1.04
Rot. Bonds5

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

5-[(2-chlorophenyl)methyl]-N-(2-hydroxyethyl)-1,3,4-oxadiazole-2-carboxamide (PubChem CID 22431940) has the molecular formula C12H12ClN3O3 and a molecular weight of 281.70 g/mol. Its IUPAC name is 5-[(2-chlorophenyl)methyl]-N-(2-hydroxyethyl)-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound Name5-[(2-chlorophenyl)methyl]-N-(2-hydroxyethyl)-1,3,4-oxadiazole-2-carboxamide
PubChem CID22431940
Molecular FormulaC12H12ClN3O3
Molecular Weight281.70 g/mol
Exact Mass281.06
IUPAC Name5-[(2-chlorophenyl)methyl]-N-(2-hydroxyethyl)-1,3,4-oxadiazole-2-carboxamide
SMILESO=C(NCCO)c1nnc(Cc2ccccc2Cl)o1
InChIInChI=1S/C12H12ClN3O3/c13-9-4-2-1-3-8(9)7-10-15-16-12(19-10)11(18)14-5-6-17/h1-4,17H,5-7H2,(H,14,18)
InChIKeyQIPCWGVGWWVYLA-UHFFFAOYSA-N
XLogP1.04
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.70
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2-chlorophenyl)methyl]-N-(2-methoxyethyl)-1,3,4-oxadiazole-2-carboxamide
CID 22431933
5-[(2-chlorophenyl)methyl]-N-(3-ethoxypropyl)-1,3,4-oxadiazole-2-carboxamide
CID 22431946
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
5-[(2-chlorophenyl)methyl]-N-[2-(3,4-diethoxyphenyl)ethyl]-1,3,4-oxadiazole-2-carboxamide
CID 22431914
5-[(2-methoxyphenyl)methyl]-N-propyl-1,3,4-oxadiazole-2-carboxamide
CID 22520113
N-benzyl-5-[(2,4-dichlorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
CID 22431605
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-hydroxyethyl)-1,3,4-oxadiazole-2-carboxamide
CID 22431894
5-benzyl-N-propyl-1,3,4-oxadiazole-2-carboxamide
CID 110393170
5-[(2-chloro-4-fluorophenyl)methyl]-N-[2-(4-methylphenyl)ethyl]-1,3,4-oxadiazole-2-carboxamide
CID 22431765
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-hydroxyethyl)-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of 5-[(2-chlorophenyl)methyl]-N-(2-hydroxyethyl)-1,3,4-oxadiazole-2-carboxamide (CID 22431940) is 5-[(2-chlorophenyl)methyl]-N-(2-hydroxyethyl)-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for 5-[(2-chlorophenyl)methyl]-N-(2-hydroxyethyl)-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for 5-[(2-chlorophenyl)methyl]-N-(2-hydroxyethyl)-1,3,4-oxadiazole-2-carboxamide is O=C(NCCO)c1nnc(Cc2ccccc2Cl)o1.
What is the InChIKey of 5-[(2-chlorophenyl)methyl]-N-(2-hydroxyethyl)-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is QIPCWGVGWWVYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O3/c13-9-4-2-1-3-8(9)7-10-15-16-12(19-10)11(18)14-5-6-17/h1-4,17H,5-7H2,(H,14,18).
What are the key properties of 5-[(2-chlorophenyl)methyl]-N-(2-hydroxyethyl)-1,3,4-oxadiazole-2-carboxamide?
5-[(2-chlorophenyl)methyl]-N-(2-hydroxyethyl)-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 281.70 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorophenyl)methyl]-N-(2-hydroxyethyl)-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 22431940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).