3-chloro-5-(2,6-dimethoxyphenyl)-1,2,4-oxadiazole

C10H9ClN2O3 — CID 112571983

IUPAC3-chloro-5-(2,6-dimethoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1cccc(OC)c1-c1nc(Cl)no1
InChIInChI=1S/C10H9ClN2O3/c1-14-6-4-3-5-7(15-2)8(6)9-12-10(11)13-16-9/h3-5H,1-2H3
InChIKeyVOLLGEMQSWQJAE-UHFFFAOYSA-N
MW240.65 g/mol
LogP2.41
Rot. Bonds3

About 3-chloro-5-(2,6-dimethoxyphenyl)-1,2,4-oxadiazole

3-chloro-5-(2,6-dimethoxyphenyl)-1,2,4-oxadiazole (PubChem CID 112571983) has the molecular formula C10H9ClN2O3 and a molecular weight of 240.65 g/mol. Its IUPAC name is 3-chloro-5-(2,6-dimethoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-chloro-5-(2,6-dimethoxyphenyl)-1,2,4-oxadiazole
PubChem CID112571983
Molecular FormulaC10H9ClN2O3
Molecular Weight240.65 g/mol
Exact Mass240.03
IUPAC Name3-chloro-5-(2,6-dimethoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1cccc(OC)c1-c1nc(Cl)no1
InChIInChI=1S/C10H9ClN2O3/c1-14-6-4-3-5-7(15-2)8(6)9-12-10(11)13-16-9/h3-5H,1-2H3
InChIKeyVOLLGEMQSWQJAE-UHFFFAOYSA-N
XLogP2.41
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.65
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-5-(2,6-dichlorophenyl)-1,2,4-oxadiazole
CID 112572079
3-chloro-5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
CID 112572038
3-chloro-5-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole
CID 112572035
1-[5-(2,6-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]butan-1-ol
CID 103096494
3-chloro-5-(3-chloro-2-methylphenyl)-1,2,4-oxadiazole
CID 107099625
2-chloro-4-(2,6-dimethoxyphenyl)-6-methylpyrimidine
CID 116811184
1-[3-(2-chloro-6-methoxyphenyl)-1,2-oxazol-5-yl]ethanamine
CID 114420281
4-bromo-5-(2,6-dimethoxyphenyl)-1,2-oxazol-3-amine
CID 79555964
3-(2,6-dimethoxyphenyl)-5-quinoxalin-5-yl-1,2,4-oxadiazole
CID 39781740
3-chloro-5-methoxy-1,2,4-oxadiazole
CID 112571823
3-[5-(3-methoxy-2-methylphenyl)-1,2,4-oxadiazol-3-yl]-2-methylaniline
CID 19330655
3-(2-bromo-6-methoxyphenyl)-5-(3-chlorophenyl)-1,2-oxazole
CID 118371898

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(2,6-dimethoxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-chloro-5-(2,6-dimethoxyphenyl)-1,2,4-oxadiazole (CID 112571983) is 3-chloro-5-(2,6-dimethoxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-chloro-5-(2,6-dimethoxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-chloro-5-(2,6-dimethoxyphenyl)-1,2,4-oxadiazole is COc1cccc(OC)c1-c1nc(Cl)no1.
What is the InChIKey of 3-chloro-5-(2,6-dimethoxyphenyl)-1,2,4-oxadiazole?
The InChIKey is VOLLGEMQSWQJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O3/c1-14-6-4-3-5-7(15-2)8(6)9-12-10(11)13-16-9/h3-5H,1-2H3.
What are the key properties of 3-chloro-5-(2,6-dimethoxyphenyl)-1,2,4-oxadiazole?
3-chloro-5-(2,6-dimethoxyphenyl)-1,2,4-oxadiazole has a molecular weight of 240.65 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(2,6-dimethoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 112571983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).