2-[5-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-N-methylacetamide

C12H12ClN3O2 — CID 71970414

IUPAC2-[5-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-N-methylacetamide
SMILESCNC(=O)Cc1noc(Cc2cccc(Cl)c2)n1
InChIInChI=1S/C12H12ClN3O2/c1-14-11(17)7-10-15-12(18-16-10)6-8-3-2-4-9(13)5-8/h2-5H,6-7H2,1H3,(H,14,17)
InChIKeyMUYOBFHYMAJWPU-UHFFFAOYSA-N
MW265.70 g/mol
LogP1.60
Rot. Bonds4

About 2-[5-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-N-methylacetamide

2-[5-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-N-methylacetamide (PubChem CID 71970414) has the molecular formula C12H12ClN3O2 and a molecular weight of 265.70 g/mol. Its IUPAC name is 2-[5-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[5-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-N-methylacetamide
PubChem CID71970414
Molecular FormulaC12H12ClN3O2
Molecular Weight265.70 g/mol
Exact Mass265.06
IUPAC Name2-[5-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-N-methylacetamide
SMILESCNC(=O)Cc1noc(Cc2cccc(Cl)c2)n1
InChIInChI=1S/C12H12ClN3O2/c1-14-11(17)7-10-15-12(18-16-10)6-8-3-2-4-9(13)5-8/h2-5H,6-7H2,1H3,(H,14,17)
InChIKeyMUYOBFHYMAJWPU-UHFFFAOYSA-N
XLogP1.60
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]methyl]ethanamine
CID 62504123
methyl 2-[3-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]acetate
CID 79474900
ethyl 2-[3-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]acetate
CID 79474823
[3-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methanol
CID 63757779
1-[5-[(3-hydroxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-one
CID 115078829
3-[5-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]phenol
CID 62505666
1-[3-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-ol
CID 55200671
N-methyl-2-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,2,4-oxadiazol-3-yl]acetamide
CID 71970431
2-(5-benzyl-1,2,4-oxadiazol-3-yl)-N-(2,5-dimethylphenyl)acetamide
CID 43819055
1-[3-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-amine
CID 64670458
3-[3-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-ol
CID 63345855
N-[3-[(4-chlorophenyl)methyl]phenyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide
CID 110613289

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-N-methylacetamide?
The IUPAC name of 2-[5-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-N-methylacetamide (CID 71970414) is 2-[5-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-N-methylacetamide.
What is the SMILES notation for 2-[5-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-N-methylacetamide?
The canonical SMILES for 2-[5-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-N-methylacetamide is CNC(=O)Cc1noc(Cc2cccc(Cl)c2)n1.
What is the InChIKey of 2-[5-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-N-methylacetamide?
The InChIKey is MUYOBFHYMAJWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O2/c1-14-11(17)7-10-15-12(18-16-10)6-8-3-2-4-9(13)5-8/h2-5H,6-7H2,1H3,(H,14,17).
What are the key properties of 2-[5-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-N-methylacetamide?
2-[5-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-N-methylacetamide has a molecular weight of 265.70 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-N-methylacetamide is sourced from PubChem (CID 71970414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).