5-chloro-3-(3-ethoxyphenyl)-1,2,4-oxadiazole

C10H9ClN2O2 — CID 60984808

IUPAC5-chloro-3-(3-ethoxyphenyl)-1,2,4-oxadiazole
SMILESCCOc1cccc(-c2noc(Cl)n2)c1
InChIInChI=1S/C10H9ClN2O2/c1-2-14-8-5-3-4-7(6-8)9-12-10(11)15-13-9/h3-6H,2H2,1H3
InChIKeyXZAQMQKQKQGYLH-UHFFFAOYSA-N
MW224.65 g/mol
LogP2.79
Rot. Bonds3

About 5-chloro-3-(3-ethoxyphenyl)-1,2,4-oxadiazole

5-chloro-3-(3-ethoxyphenyl)-1,2,4-oxadiazole (PubChem CID 60984808) has the molecular formula C10H9ClN2O2 and a molecular weight of 224.65 g/mol. Its IUPAC name is 5-chloro-3-(3-ethoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-chloro-3-(3-ethoxyphenyl)-1,2,4-oxadiazole
PubChem CID60984808
Molecular FormulaC10H9ClN2O2
Molecular Weight224.65 g/mol
Exact Mass224.04
IUPAC Name5-chloro-3-(3-ethoxyphenyl)-1,2,4-oxadiazole
SMILESCCOc1cccc(-c2noc(Cl)n2)c1
InChIInChI=1S/C10H9ClN2O2/c1-2-14-8-5-3-4-7(6-8)9-12-10(11)15-13-9/h3-6H,2H2,1H3
InChIKeyXZAQMQKQKQGYLH-UHFFFAOYSA-N
XLogP2.79
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.65
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-ethylpropan-2-amine
CID 62818337
3-[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 63346032
1-amino-1-[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 43519296
3-[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 80539968
4-[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 63346128
4-chloro-2-(3-ethoxyphenyl)-6-methylpyrimidine
CID 43557478
2-[[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]sulfanyl]acetic acid
CID 62957229
1-[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine
CID 63348720
4-chloro-2-(3-ethoxyphenyl)-6-ethyl-5-methylpyrimidine
CID 55247750
3-[3-[3-(4-chlorophenoxy)propoxy]phenyl]-5-methyl-1,2,4-oxadiazole
CID 166185984
2-[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclopentan-1-amine
CID 63348630
3-(3-ethoxyphenyl)-5-piperidin-3-yl-1,2,4-oxadiazole
CID 43519291

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(3-ethoxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-chloro-3-(3-ethoxyphenyl)-1,2,4-oxadiazole (CID 60984808) is 5-chloro-3-(3-ethoxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-chloro-3-(3-ethoxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-chloro-3-(3-ethoxyphenyl)-1,2,4-oxadiazole is CCOc1cccc(-c2noc(Cl)n2)c1.
What is the InChIKey of 5-chloro-3-(3-ethoxyphenyl)-1,2,4-oxadiazole?
The InChIKey is XZAQMQKQKQGYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O2/c1-2-14-8-5-3-4-7(6-8)9-12-10(11)15-13-9/h3-6H,2H2,1H3.
What are the key properties of 5-chloro-3-(3-ethoxyphenyl)-1,2,4-oxadiazole?
5-chloro-3-(3-ethoxyphenyl)-1,2,4-oxadiazole has a molecular weight of 224.65 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(3-ethoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 60984808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).