3-(1-chloropropyl)-5-(2-methyloxolan-3-yl)-1,2,4-oxadiazole

C10H15ClN2O2 — CID 103095548

IUPAC3-(1-chloropropyl)-5-(2-methyloxolan-3-yl)-1,2,4-oxadiazole
SMILESCCC(Cl)c1noc(C2CCOC2C)n1
InChIInChI=1S/C10H15ClN2O2/c1-3-8(11)9-12-10(15-13-9)7-4-5-14-6(7)2/h6-8H,3-5H2,1-2H3
InChIKeyNUYMNULDMAXXRY-UHFFFAOYSA-N
MW230.69 g/mol
LogP2.65
Rot. Bonds3

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

3-(1-chloropropyl)-5-(2-methyloxolan-3-yl)-1,2,4-oxadiazole (PubChem CID 103095548) has the molecular formula C10H15ClN2O2 and a molecular weight of 230.69 g/mol. Its IUPAC name is 3-(1-chloropropyl)-5-(2-methyloxolan-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1-chloropropyl)-5-(2-methyloxolan-3-yl)-1,2,4-oxadiazole
PubChem CID103095548
Molecular FormulaC10H15ClN2O2
Molecular Weight230.69 g/mol
Exact Mass230.08
IUPAC Name3-(1-chloropropyl)-5-(2-methyloxolan-3-yl)-1,2,4-oxadiazole
SMILESCCC(Cl)c1noc(C2CCOC2C)n1
InChIInChI=1S/C10H15ClN2O2/c1-3-8(11)9-12-10(15-13-9)7-4-5-14-6(7)2/h6-8H,3-5H2,1-2H3
InChIKeyNUYMNULDMAXXRY-UHFFFAOYSA-N
XLogP2.65
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.69
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(1-chloropropyl)-5-(2-methyloxolan-3-yl)-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

3-(1-chloropropyl)-5-(4-methylcyclohexyl)-1,2,4-oxadiazole
CID 103095705
5-(2-methyloxolan-3-yl)-3-(1-piperazin-1-ylbutyl)-1,2,4-oxadiazole
CID 79756111
1-[5-(2-methyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]-2-propoxyethanamine
CID 113435494
1-[5-(2-methyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine
CID 104634765
3-(1-chloropropyl)-5-(2-phenylcyclopropyl)-1,2,4-oxadiazole
CID 103095703
3-[5-(2-methyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 79763177
3-(1-chloropropyl)-5-(1-cyclopropylethyl)-1,2,4-oxadiazole
CID 103095417
1-ethoxy-2-[5-(2-methyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 104636856
3-(1-chlorobutyl)-5-cycloheptyl-1,2,4-oxadiazole
CID 103095789
2-[5-(2-methyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103972028
2-(1-bromopropyl)-5-(2-methyloxolan-3-yl)-1,3,4-oxadiazole
CID 79759200
3-butan-2-yl-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 79371942

Frequently Asked Questions

What is the IUPAC name of 3-(1-chloropropyl)-5-(2-methyloxolan-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(1-chloropropyl)-5-(2-methyloxolan-3-yl)-1,2,4-oxadiazole (CID 103095548) is 3-(1-chloropropyl)-5-(2-methyloxolan-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1-chloropropyl)-5-(2-methyloxolan-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(1-chloropropyl)-5-(2-methyloxolan-3-yl)-1,2,4-oxadiazole is CCC(Cl)c1noc(C2CCOC2C)n1.
What is the InChIKey of 3-(1-chloropropyl)-5-(2-methyloxolan-3-yl)-1,2,4-oxadiazole?
The InChIKey is NUYMNULDMAXXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O2/c1-3-8(11)9-12-10(15-13-9)7-4-5-14-6(7)2/h6-8H,3-5H2,1-2H3.
What are the key properties of 3-(1-chloropropyl)-5-(2-methyloxolan-3-yl)-1,2,4-oxadiazole?
3-(1-chloropropyl)-5-(2-methyloxolan-3-yl)-1,2,4-oxadiazole has a molecular weight of 230.69 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-chloropropyl)-5-(2-methyloxolan-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 103095548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).