3-(1-chloroethyl)-5-methoxy-1,2,4-oxadiazole

C5H7ClN2O2 — CID 102660924

IUPAC3-(1-chloroethyl)-5-methoxy-1,2,4-oxadiazole
SMILESCOc1nc(C(C)Cl)no1
InChIInChI=1S/C5H7ClN2O2/c1-3(6)4-7-5(9-2)10-8-4/h3H,1-2H3
InChIKeyDIEZDOCBLMEJQL-UHFFFAOYSA-N
MW162.58 g/mol
LogP1.38
Rot. Bonds2

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

3-(1-chloroethyl)-5-methoxy-1,2,4-oxadiazole (PubChem CID 102660924) has the molecular formula C5H7ClN2O2 and a molecular weight of 162.58 g/mol. Its IUPAC name is 3-(1-chloroethyl)-5-methoxy-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1-chloroethyl)-5-methoxy-1,2,4-oxadiazole
PubChem CID102660924
Molecular FormulaC5H7ClN2O2
Molecular Weight162.58 g/mol
Exact Mass162.02
IUPAC Name3-(1-chloroethyl)-5-methoxy-1,2,4-oxadiazole
SMILESCOc1nc(C(C)Cl)no1
InChIInChI=1S/C5H7ClN2O2/c1-3(6)4-7-5(9-2)10-8-4/h3H,1-2H3
InChIKeyDIEZDOCBLMEJQL-UHFFFAOYSA-N
XLogP1.38
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.58
LogP ≤ 51.38
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-(5-methoxy-1,2,4-oxadiazol-3-yl)propan-1-ol
CID 103096440
3-chloro-5-methoxy-1,2,4-oxadiazole
CID 112571823
2-methoxy-1-(5-methoxy-1,2,4-oxadiazol-3-yl)ethanamine
CID 104633601
5-methoxy-1,2,4-oxadiazol-3-amine
CID 23279316
3-bromo-5-methoxy-1,2,4-oxadiazole
CID 112571439
3-(1-chloroethyl)-5-(2-chlorofuran-3-yl)-1,2,4-oxadiazole
CID 106688117
3-(1-chloroethyl)-5-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazole
CID 107002021
3-(1-chloroethyl)-5-(1-methylcyclopentyl)-1,2,4-oxadiazole
CID 102661074
3-(1-chloroethyl)-5-(oxan-4-yl)-1,2,4-oxadiazole
CID 102661013
3-(1-chloroethyl)-5-(5-methyl-1,2-oxazol-4-yl)-1,2,4-oxadiazole
CID 102660898
3-(1-chloroethyl)-5-(2,4,4-trimethylpentyl)-1,2,4-oxadiazole
CID 102661256
3-(1-chloroethyl)-5-(thiadiazol-4-yl)-1,2,4-oxadiazole
CID 102661119

Frequently Asked Questions

What is the IUPAC name of 3-(1-chloroethyl)-5-methoxy-1,2,4-oxadiazole?
The IUPAC name of 3-(1-chloroethyl)-5-methoxy-1,2,4-oxadiazole (CID 102660924) is 3-(1-chloroethyl)-5-methoxy-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1-chloroethyl)-5-methoxy-1,2,4-oxadiazole?
The canonical SMILES for 3-(1-chloroethyl)-5-methoxy-1,2,4-oxadiazole is COc1nc(C(C)Cl)no1.
What is the InChIKey of 3-(1-chloroethyl)-5-methoxy-1,2,4-oxadiazole?
The InChIKey is DIEZDOCBLMEJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClN2O2/c1-3(6)4-7-5(9-2)10-8-4/h3H,1-2H3.
What are the key properties of 3-(1-chloroethyl)-5-methoxy-1,2,4-oxadiazole?
3-(1-chloroethyl)-5-methoxy-1,2,4-oxadiazole has a molecular weight of 162.58 g/mol, XLogP of 1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-chloroethyl)-5-methoxy-1,2,4-oxadiazole is sourced from PubChem (CID 102660924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).