1-[3-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanone

C11H9ClN2O3 — CID 19332731

IUPAC1-[3-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanone
SMILESCOc1ccc(Cl)cc1-c1noc(C(C)=O)n1
InChIInChI=1S/C11H9ClN2O3/c1-6(15)11-13-10(14-17-11)8-5-7(12)3-4-9(8)16-2/h3-5H,1-2H3
InChIKeyRPZFNCFXMIDIQI-UHFFFAOYSA-N
MW252.66 g/mol
LogP2.60
Rot. Bonds3

About 1-[3-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanone

1-[3-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanone (PubChem CID 19332731) has the molecular formula C11H9ClN2O3 and a molecular weight of 252.66 g/mol. Its IUPAC name is 1-[3-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[3-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanone
PubChem CID19332731
Molecular FormulaC11H9ClN2O3
Molecular Weight252.66 g/mol
Exact Mass252.03
IUPAC Name1-[3-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanone
SMILESCOc1ccc(Cl)cc1-c1noc(C(C)=O)n1
InChIInChI=1S/C11H9ClN2O3/c1-6(15)11-13-10(14-17-11)8-5-7(12)3-4-9(8)16-2/h3-5H,1-2H3
InChIKeyRPZFNCFXMIDIQI-UHFFFAOYSA-N
XLogP2.60
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.66
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5-chloro-2-methoxyphenyl)-N-[2-[(3,4-dichlorobenzoyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 17083534
N-[2-[(4-tert-butylbenzoyl)amino]ethyl]-3-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazole-5-carboxamide
CID 17083549
N-[2-[(2-chlorobenzoyl)amino]ethyl]-3-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazole-5-carboxamide
CID 17083533
3-(5-chloro-2-methoxyphenyl)-N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 17083555
3-(5-chloro-2-methoxyphenyl)-N-[2-(pyridine-3-carbonylamino)ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 16765835
3-(5-chloro-2-methoxyphenyl)-5-(2-iodophenyl)-1,2,4-oxadiazole
CID 19332463
5-(2-bromophenyl)-3-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazole
CID 19332501
3-(5-chloro-2-methoxyphenyl)-N-[2-[(2-nitrobenzoyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 17083580
3-(5-chloro-2-methoxyphenyl)-N-[2-[(2-chloro-4-nitrobenzoyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 17083570
N-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]-3-(2-fluorophenyl)-1,2,4-oxadiazole-5-carboxamide
CID 17084276
5-[1-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-3-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazole
CID 19332714
2-[[3-(4-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]sulfanyl]acetic acid
CID 106819882

Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanone?
The IUPAC name of 1-[3-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanone (CID 19332731) is 1-[3-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanone.
What is the SMILES notation for 1-[3-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanone?
The canonical SMILES for 1-[3-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanone is COc1ccc(Cl)cc1-c1noc(C(C)=O)n1.
What is the InChIKey of 1-[3-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanone?
The InChIKey is RPZFNCFXMIDIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O3/c1-6(15)11-13-10(14-17-11)8-5-7(12)3-4-9(8)16-2/h3-5H,1-2H3.
What are the key properties of 1-[3-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanone?
1-[3-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanone has a molecular weight of 252.66 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanone is sourced from PubChem (CID 19332731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).