5-(chloromethyl)-3-(2-methoxy-5-methylphenyl)-1,2,4-oxadiazole

C11H11ClN2O2 — CID 145064896

IUPAC5-(chloromethyl)-3-(2-methoxy-5-methylphenyl)-1,2,4-oxadiazole
SMILESCOc1ccc(C)cc1-c1noc(CCl)n1
InChIInChI=1S/C11H11ClN2O2/c1-7-3-4-9(15-2)8(5-7)11-13-10(6-12)16-14-11/h3-5H,6H2,1-2H3
InChIKeyUDONQDZNEVKOAA-UHFFFAOYSA-N
MW238.67 g/mol
LogP2.79
Rot. Bonds3

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

5-(chloromethyl)-3-(2-methoxy-5-methylphenyl)-1,2,4-oxadiazole (PubChem CID 145064896) has the molecular formula C11H11ClN2O2 and a molecular weight of 238.67 g/mol. Its IUPAC name is 5-(chloromethyl)-3-(2-methoxy-5-methylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(chloromethyl)-3-(2-methoxy-5-methylphenyl)-1,2,4-oxadiazole
PubChem CID145064896
Molecular FormulaC11H11ClN2O2
Molecular Weight238.67 g/mol
Exact Mass238.05
IUPAC Name5-(chloromethyl)-3-(2-methoxy-5-methylphenyl)-1,2,4-oxadiazole
SMILESCOc1ccc(C)cc1-c1noc(CCl)n1
InChIInChI=1S/C11H11ClN2O2/c1-7-3-4-9(15-2)8(5-7)11-13-10(6-12)16-14-11/h3-5H,6H2,1-2H3
InChIKeyUDONQDZNEVKOAA-UHFFFAOYSA-N
XLogP2.79
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.67
LogP ≤ 52.79
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

5-(chloromethyl)-3-(3-methoxy-4-propan-2-yloxyphenyl)-1,2,4-oxadiazole
CID 16779156
2-[3-(2,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 23008127
2-methoxy-N-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylbenzenesulfonamide
CID 110322963
2-[3-(2,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]acetic acid
CID 28806166
5-(chloromethyl)-3-(2-methylfuran-3-yl)-1,2,4-oxadiazole
CID 104788713
1-[3-(2-methoxy-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylbutan-2-amine
CID 106789732
1-[3-(2-methoxy-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethylbutan-2-amine
CID 106793440
N-ethyl-1-[3-(2-methoxy-4-methylphenyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 106793455
3-[3-(2,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoic acid
CID 17376509
5-(chloromethyl)-3-(4,6-dimethyl-3-pyridinyl)-1,2,4-oxadiazole
CID 130900426
3-(2-methoxy-5-methylphenyl)-4-methyl-1,2-oxazol-5-amine
CID 62505613
5-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-3-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazole
CID 19332620

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-3-(2-methoxy-5-methylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(chloromethyl)-3-(2-methoxy-5-methylphenyl)-1,2,4-oxadiazole (CID 145064896) is 5-(chloromethyl)-3-(2-methoxy-5-methylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(chloromethyl)-3-(2-methoxy-5-methylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(chloromethyl)-3-(2-methoxy-5-methylphenyl)-1,2,4-oxadiazole is COc1ccc(C)cc1-c1noc(CCl)n1.
What is the InChIKey of 5-(chloromethyl)-3-(2-methoxy-5-methylphenyl)-1,2,4-oxadiazole?
The InChIKey is UDONQDZNEVKOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O2/c1-7-3-4-9(15-2)8(5-7)11-13-10(6-12)16-14-11/h3-5H,6H2,1-2H3.
What are the key properties of 5-(chloromethyl)-3-(2-methoxy-5-methylphenyl)-1,2,4-oxadiazole?
5-(chloromethyl)-3-(2-methoxy-5-methylphenyl)-1,2,4-oxadiazole has a molecular weight of 238.67 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-(chloromethyl)-3-(2-methoxy-5-methylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 145064896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).