3-(3-chloro-4-methoxyphenyl)-5-methyl-1,2,4-oxadiazole

C10H9ClN2O2 — CID 59007023

IUPAC3-(3-chloro-4-methoxyphenyl)-5-methyl-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc(C)n2)cc1Cl
InChIInChI=1S/C10H9ClN2O2/c1-6-12-10(13-15-6)7-3-4-9(14-2)8(11)5-7/h3-5H,1-2H3
InChIKeySZOFKCGMPKRWAO-UHFFFAOYSA-N
MW224.65 g/mol
LogP2.71
Rot. Bonds2

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

3-(3-chloro-4-methoxyphenyl)-5-methyl-1,2,4-oxadiazole (PubChem CID 59007023) has the molecular formula C10H9ClN2O2 and a molecular weight of 224.65 g/mol. Its IUPAC name is 3-(3-chloro-4-methoxyphenyl)-5-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-chloro-4-methoxyphenyl)-5-methyl-1,2,4-oxadiazole
PubChem CID59007023
Molecular FormulaC10H9ClN2O2
Molecular Weight224.65 g/mol
Exact Mass224.04
IUPAC Name3-(3-chloro-4-methoxyphenyl)-5-methyl-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc(C)n2)cc1Cl
InChIInChI=1S/C10H9ClN2O2/c1-6-12-10(13-15-6)7-3-4-9(14-2)8(11)5-7/h3-5H,1-2H3
InChIKeySZOFKCGMPKRWAO-UHFFFAOYSA-N
XLogP2.71
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.65
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chloro-4-methoxyphenyl)-3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea
CID 50777590
3-(3-methoxy-4-propoxyphenyl)-5-methyl-1,2,4-oxadiazole
CID 46043975
3-(4-methoxy-3-nitrophenyl)-5-methyl-1,2,4-oxadiazole
CID 616601
4-[5-(3-chloro-4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-iodophenol
CID 136509876
3-(4-chloro-3-fluorophenyl)-5-methyl-1,2,4-oxadiazole
CID 170771267
4-(3-chloro-4-methoxyphenyl)-2-methyl-1,3-oxazole
CID 82128057
3-(4-chlorophenyl)-5-methyl-1,2,4-oxadiazole
CID 684002
4-[2-methoxy-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzoic acid
CID 169094894
4-(3-chloro-4-methoxyphenyl)-5-methyl-1,2-oxazol-3-amine
CID 82476965
4-(3-chloro-4-methoxyphenyl)-3-methyl-1,2-oxazol-5-amine
CID 82084136
5-(3-chloro-4-methoxyphenyl)-1,2-oxazol-3-amine
CID 82114977
2-(3-chloro-4-methoxyphenyl)-N,6-dimethylpyrimidin-4-amine
CID 65022234

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-methoxyphenyl)-5-methyl-1,2,4-oxadiazole?
The IUPAC name of 3-(3-chloro-4-methoxyphenyl)-5-methyl-1,2,4-oxadiazole (CID 59007023) is 3-(3-chloro-4-methoxyphenyl)-5-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-chloro-4-methoxyphenyl)-5-methyl-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-chloro-4-methoxyphenyl)-5-methyl-1,2,4-oxadiazole is COc1ccc(-c2noc(C)n2)cc1Cl.
What is the InChIKey of 3-(3-chloro-4-methoxyphenyl)-5-methyl-1,2,4-oxadiazole?
The InChIKey is SZOFKCGMPKRWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O2/c1-6-12-10(13-15-6)7-3-4-9(14-2)8(11)5-7/h3-5H,1-2H3.
What are the key properties of 3-(3-chloro-4-methoxyphenyl)-5-methyl-1,2,4-oxadiazole?
3-(3-chloro-4-methoxyphenyl)-5-methyl-1,2,4-oxadiazole has a molecular weight of 224.65 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-methoxyphenyl)-5-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 59007023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).