5-(3-chloropropyl)-3-(2-methoxyethyl)-1,2,4-oxadiazole

C8H13ClN2O2 — CID 61412908

IUPAC5-(3-chloropropyl)-3-(2-methoxyethyl)-1,2,4-oxadiazole
SMILESCOCCc1noc(CCCCl)n1
InChIInChI=1S/C8H13ClN2O2/c1-12-6-4-7-10-8(13-11-7)3-2-5-9/h2-6H2,1H3
InChIKeyHHANDXDGLXZOQU-UHFFFAOYSA-N
MW204.66 g/mol
LogP1.43
Rot. Bonds6

About 5-(3-chloropropyl)-3-(2-methoxyethyl)-1,2,4-oxadiazole

5-(3-chloropropyl)-3-(2-methoxyethyl)-1,2,4-oxadiazole (PubChem CID 61412908) has the molecular formula C8H13ClN2O2 and a molecular weight of 204.66 g/mol. Its IUPAC name is 5-(3-chloropropyl)-3-(2-methoxyethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3-chloropropyl)-3-(2-methoxyethyl)-1,2,4-oxadiazole
PubChem CID61412908
Molecular FormulaC8H13ClN2O2
Molecular Weight204.66 g/mol
Exact Mass204.07
IUPAC Name5-(3-chloropropyl)-3-(2-methoxyethyl)-1,2,4-oxadiazole
SMILESCOCCc1noc(CCCCl)n1
InChIInChI=1S/C8H13ClN2O2/c1-12-6-4-7-10-8(13-11-7)3-2-5-9/h2-6H2,1H3
InChIKeyHHANDXDGLXZOQU-UHFFFAOYSA-N
XLogP1.43
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.66
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(3-chloropropyl)-3-(2-methoxyethyl)-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]butanenitrile
CID 106524226
2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 61412753
5-(3-chloropropyl)-3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazole
CID 65134539
2-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine
CID 65094639
1-methoxy-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 63350060
5-(3-chloropropyl)-3-(oxolan-2-ylmethyl)-1,2,4-oxadiazole
CID 43513448
3-benzyl-5-(3-chloropropyl)-1,2,4-oxadiazole
CID 43513464
5-bromo-3-(2-methoxyethyl)-1,2,4-oxadiazole
CID 115079641
4-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-2-amine
CID 65095005
4-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 65093742
5-(3-chloropropyl)-3-[(4-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazole
CID 66063970
4-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine
CID 65093589

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloropropyl)-3-(2-methoxyethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(3-chloropropyl)-3-(2-methoxyethyl)-1,2,4-oxadiazole (CID 61412908) is 5-(3-chloropropyl)-3-(2-methoxyethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3-chloropropyl)-3-(2-methoxyethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(3-chloropropyl)-3-(2-methoxyethyl)-1,2,4-oxadiazole is COCCc1noc(CCCCl)n1.
What is the InChIKey of 5-(3-chloropropyl)-3-(2-methoxyethyl)-1,2,4-oxadiazole?
The InChIKey is HHANDXDGLXZOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN2O2/c1-12-6-4-7-10-8(13-11-7)3-2-5-9/h2-6H2,1H3.
What are the key properties of 5-(3-chloropropyl)-3-(2-methoxyethyl)-1,2,4-oxadiazole?
5-(3-chloropropyl)-3-(2-methoxyethyl)-1,2,4-oxadiazole has a molecular weight of 204.66 g/mol, XLogP of 1.43, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloropropyl)-3-(2-methoxyethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 61412908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).