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

C8H8ClN3OS — CID 103095688

IUPAC3-(1-chloropropyl)-5-(1,3-thiazol-4-yl)-1,2,4-oxadiazole
SMILESCCC(Cl)c1noc(-c2cscn2)n1
InChIInChI=1S/C8H8ClN3OS/c1-2-5(9)7-11-8(13-12-7)6-3-14-4-10-6/h3-5H,2H2,1H3
InChIKeyILTNROJGJBCHFA-UHFFFAOYSA-N
MW229.69 g/mol
LogP2.88
Rot. Bonds3

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

3-(1-chloropropyl)-5-(1,3-thiazol-4-yl)-1,2,4-oxadiazole (PubChem CID 103095688) has the molecular formula C8H8ClN3OS and a molecular weight of 229.69 g/mol. Its IUPAC name is 3-(1-chloropropyl)-5-(1,3-thiazol-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1-chloropropyl)-5-(1,3-thiazol-4-yl)-1,2,4-oxadiazole
PubChem CID103095688
Molecular FormulaC8H8ClN3OS
Molecular Weight229.69 g/mol
Exact Mass229.01
IUPAC Name3-(1-chloropropyl)-5-(1,3-thiazol-4-yl)-1,2,4-oxadiazole
SMILESCCC(Cl)c1noc(-c2cscn2)n1
InChIInChI=1S/C8H8ClN3OS/c1-2-5(9)7-11-8(13-12-7)6-3-14-4-10-6/h3-5H,2H2,1H3
InChIKeyILTNROJGJBCHFA-UHFFFAOYSA-N
XLogP2.88
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.69
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[5-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 63022879
1-[5-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol
CID 103096272
N',N'-diethyl-1-[5-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine
CID 104635635
3-(1-chloropropyl)-5-(6-methyl-2-pyridinyl)-1,2,4-oxadiazole
CID 103095388
3-(1-chloropropyl)-5-(3-methyl-1,2-oxazol-5-yl)-1,2,4-oxadiazole
CID 103095483
3-(1-chloropropyl)-5-(5-methylfuran-3-yl)-1,2,4-oxadiazole
CID 103095423
5-(4-bromo-2,6-difluorophenyl)-3-(1-chloropropyl)-1,2,4-oxadiazole
CID 103095497
3-(1-chloropropyl)-5-(2,6-dichlorophenyl)-1,2,4-oxadiazole
CID 103095565
N-[[5-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine
CID 63023761
5-(3-bromophenyl)-3-(1-chloropropyl)-1,2,4-oxadiazole
CID 103095340
5-(3-bromo-5-fluorophenyl)-3-(1-chloropropyl)-1,2,4-oxadiazole
CID 103095623
5-(3-chloro-4-methylphenyl)-3-(1-chloropropyl)-1,2,4-oxadiazole
CID 103095689

Frequently Asked Questions

What is the IUPAC name of 3-(1-chloropropyl)-5-(1,3-thiazol-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(1-chloropropyl)-5-(1,3-thiazol-4-yl)-1,2,4-oxadiazole (CID 103095688) is 3-(1-chloropropyl)-5-(1,3-thiazol-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1-chloropropyl)-5-(1,3-thiazol-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(1-chloropropyl)-5-(1,3-thiazol-4-yl)-1,2,4-oxadiazole is CCC(Cl)c1noc(-c2cscn2)n1.
What is the InChIKey of 3-(1-chloropropyl)-5-(1,3-thiazol-4-yl)-1,2,4-oxadiazole?
The InChIKey is ILTNROJGJBCHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3OS/c1-2-5(9)7-11-8(13-12-7)6-3-14-4-10-6/h3-5H,2H2,1H3.
What are the key properties of 3-(1-chloropropyl)-5-(1,3-thiazol-4-yl)-1,2,4-oxadiazole?
3-(1-chloropropyl)-5-(1,3-thiazol-4-yl)-1,2,4-oxadiazole has a molecular weight of 229.69 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-chloropropyl)-5-(1,3-thiazol-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 103095688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).