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

C11H9ClN2O2 — CID 63346783

IUPAC1-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanone
SMILESCC(=O)c1nc(Cc2ccc(Cl)cc2)no1
InChIInChI=1S/C11H9ClN2O2/c1-7(15)11-13-10(14-16-11)6-8-2-4-9(12)5-3-8/h2-5H,6H2,1H3
InChIKeyZPRMELWZUFQTOI-UHFFFAOYSA-N
MW236.66 g/mol
LogP2.52
Rot. Bonds3

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

1-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanone (PubChem CID 63346783) has the molecular formula C11H9ClN2O2 and a molecular weight of 236.66 g/mol. Its IUPAC name is 1-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanone
PubChem CID63346783
Molecular FormulaC11H9ClN2O2
Molecular Weight236.66 g/mol
Exact Mass236.04
IUPAC Name1-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanone
SMILESCC(=O)c1nc(Cc2ccc(Cl)cc2)no1
InChIInChI=1S/C11H9ClN2O2/c1-7(15)11-13-10(14-16-11)6-8-2-4-9(12)5-3-8/h2-5H,6H2,1H3
InChIKeyZPRMELWZUFQTOI-UHFFFAOYSA-N
XLogP2.52
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.66
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanone
CID 63345474
1-[3-[(2,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanone
CID 63346765
methyl 2-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]acetate
CID 79474499
[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methanol
CID 18523550
2-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-3-one
CID 55221994
1-[3-[(2-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanone
CID 63344609
1-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine
CID 43103025
1-[3-[(3-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]ethanone
CID 66147101
2-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1-cyclopropylethanone
CID 55203154
3-[5-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]propanoic acid
CID 115079130
ethyl 3-[(4-methylphenyl)methyl]-1,2,4-oxadiazole-5-carboxylate
CID 63358352
4-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 63345077

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanone?
The IUPAC name of 1-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanone (CID 63346783) is 1-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanone.
What is the SMILES notation for 1-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanone?
The canonical SMILES for 1-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanone is CC(=O)c1nc(Cc2ccc(Cl)cc2)no1.
What is the InChIKey of 1-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanone?
The InChIKey is ZPRMELWZUFQTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O2/c1-7(15)11-13-10(14-16-11)6-8-2-4-9(12)5-3-8/h2-5H,6H2,1H3.
What are the key properties of 1-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanone?
1-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanone has a molecular weight of 236.66 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanone is sourced from PubChem (CID 63346783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).