5-(chloromethyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole

C10H9ClN2O2 — CID 736967

IUPAC5-(chloromethyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc(CCl)n2)cc1
InChIInChI=1S/C10H9ClN2O2/c1-14-8-4-2-7(3-5-8)10-12-9(6-11)15-13-10/h2-5H,6H2,1H3
InChIKeyDNEALSFRYSYSDL-UHFFFAOYSA-N
MW224.65 g/mol
LogP2.48
Rot. Bonds3

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

5-(chloromethyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole (PubChem CID 736967) has the molecular formula C10H9ClN2O2 and a molecular weight of 224.65 g/mol. Its IUPAC name is 5-(chloromethyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(chloromethyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
PubChem CID736967
Molecular FormulaC10H9ClN2O2
Molecular Weight224.65 g/mol
Exact Mass224.04
IUPAC Name5-(chloromethyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc(CCl)n2)cc1
InChIInChI=1S/C10H9ClN2O2/c1-14-8-4-2-7(3-5-8)10-12-9(6-11)15-13-10/h2-5H,6H2,1H3
InChIKeyDNEALSFRYSYSDL-UHFFFAOYSA-N
XLogP2.48
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 ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-(3-(4-Methoxyphenyl)-1,2,4-oxadiazol-5-yl)propanoic acid
CID 689155
4-(5-Methyl-1,2,4-oxadiazol-3-yl)phenol
CID 4962397
3-[3-(4-Methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-piperidin-1-ylpropan-1-one
CID 2020010
4-[3-(4-Methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanoic acid
CID 667316
2-(3-(4-Methoxyphenyl)-1,2,4-oxadiazol-5-yl)acetic acid
CID 22343321
(E)-3-fluoro-2-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]methyl]prop-2-en-1-amine
CID 146512034
(Z)-3-fluoro-2-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]methyl]prop-2-en-1-amine
CID 162369026
3-[3-(4-Methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methylpiperidin-1-yl)propan-1-one
CID 866887
3-(4-Methoxyphenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole
CID 888680
5-(4-Methoxybenzyl)-3-phenyl-1,2,4-oxadiazole
CID 957143
N-isopropyl-N-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2,2-dimethylpropanamide
CID 1258023
N-benzyl-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylmethanamine
CID 23723371

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(chloromethyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole (CID 736967) is 5-(chloromethyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(chloromethyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(chloromethyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole is COc1ccc(-c2noc(CCl)n2)cc1.
What is the InChIKey of 5-(chloromethyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole?
The InChIKey is DNEALSFRYSYSDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O2/c1-14-8-4-2-7(3-5-8)10-12-9(6-11)15-13-10/h2-5H,6H2,1H3.
What are the key properties of 5-(chloromethyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole?
5-(chloromethyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole has a molecular weight of 224.65 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 736967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).