5-(chloromethyl)-3-(2-methoxypropan-2-yl)-1,2,4-oxadiazole

C7H11ClN2O2 — CID 79202693

IUPAC5-(chloromethyl)-3-(2-methoxypropan-2-yl)-1,2,4-oxadiazole
SMILESCOC(C)(C)c1noc(CCl)n1
InChIInChI=1S/C7H11ClN2O2/c1-7(2,11-3)6-9-5(4-8)12-10-6/h4H2,1-3H3
InChIKeyRZJDCSHBFYPUDE-UHFFFAOYSA-N
MW190.63 g/mol
LogP1.69
Rot. Bonds3

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

5-(chloromethyl)-3-(2-methoxypropan-2-yl)-1,2,4-oxadiazole (PubChem CID 79202693) has the molecular formula C7H11ClN2O2 and a molecular weight of 190.63 g/mol. Its IUPAC name is 5-(chloromethyl)-3-(2-methoxypropan-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(chloromethyl)-3-(2-methoxypropan-2-yl)-1,2,4-oxadiazole
PubChem CID79202693
Molecular FormulaC7H11ClN2O2
Molecular Weight190.63 g/mol
Exact Mass190.05
IUPAC Name5-(chloromethyl)-3-(2-methoxypropan-2-yl)-1,2,4-oxadiazole
SMILESCOC(C)(C)c1noc(CCl)n1
InChIInChI=1S/C7H11ClN2O2/c1-7(2,11-3)6-9-5(4-8)12-10-6/h4H2,1-3H3
InChIKeyRZJDCSHBFYPUDE-UHFFFAOYSA-N
XLogP1.69
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.63
LogP ≤ 51.69
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

1-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-amine
CID 79202486
2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine
CID 79201638
3-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 81073152
1-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 79197851
4-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine
CID 79195004
2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanamine
CID 79202062
1-[[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexane-1-carboxylic acid
CID 79201753
3-[2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]hexan-1-amine
CID 79202804
2-(4-chlorophenyl)-5-[2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3,4-oxadiazole
CID 71969272
[1-[[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanamine
CID 113313968
5-(1,4-diazepan-1-ylmethyl)-3-(2-methoxypropan-2-yl)-1,2,4-oxadiazole
CID 79203025
5-(2H-indazol-3-ylmethyl)-3-(2-methoxypropan-2-yl)-1,2,4-oxadiazole
CID 71858173

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-3-(2-methoxypropan-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(chloromethyl)-3-(2-methoxypropan-2-yl)-1,2,4-oxadiazole (CID 79202693) is 5-(chloromethyl)-3-(2-methoxypropan-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(chloromethyl)-3-(2-methoxypropan-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(chloromethyl)-3-(2-methoxypropan-2-yl)-1,2,4-oxadiazole is COC(C)(C)c1noc(CCl)n1.
What is the InChIKey of 5-(chloromethyl)-3-(2-methoxypropan-2-yl)-1,2,4-oxadiazole?
The InChIKey is RZJDCSHBFYPUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN2O2/c1-7(2,11-3)6-9-5(4-8)12-10-6/h4H2,1-3H3.
What are the key properties of 5-(chloromethyl)-3-(2-methoxypropan-2-yl)-1,2,4-oxadiazole?
5-(chloromethyl)-3-(2-methoxypropan-2-yl)-1,2,4-oxadiazole has a molecular weight of 190.63 g/mol, XLogP of 1.69, 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-methoxypropan-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 79202693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).