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

C9H10ClN3O2 — CID 103095483

IUPAC3-(1-chloropropyl)-5-(3-methyl-1,2-oxazol-5-yl)-1,2,4-oxadiazole
SMILESCCC(Cl)c1noc(-c2cc(C)no2)n1
InChIInChI=1S/C9H10ClN3O2/c1-3-6(10)8-11-9(15-13-8)7-4-5(2)12-14-7/h4,6H,3H2,1-2H3
InChIKeyAUEJJVCMKYTNEP-UHFFFAOYSA-N
MW227.65 g/mol
LogP2.72
Rot. Bonds3

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

3-(1-chloropropyl)-5-(3-methyl-1,2-oxazol-5-yl)-1,2,4-oxadiazole (PubChem CID 103095483) has the molecular formula C9H10ClN3O2 and a molecular weight of 227.65 g/mol. Its IUPAC name is 3-(1-chloropropyl)-5-(3-methyl-1,2-oxazol-5-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1-chloropropyl)-5-(3-methyl-1,2-oxazol-5-yl)-1,2,4-oxadiazole
PubChem CID103095483
Molecular FormulaC9H10ClN3O2
Molecular Weight227.65 g/mol
Exact Mass227.05
IUPAC Name3-(1-chloropropyl)-5-(3-methyl-1,2-oxazol-5-yl)-1,2,4-oxadiazole
SMILESCCC(Cl)c1noc(-c2cc(C)no2)n1
InChIInChI=1S/C9H10ClN3O2/c1-3-6(10)8-11-9(15-13-8)7-4-5(2)12-14-7/h4,6H,3H2,1-2H3
InChIKeyAUEJJVCMKYTNEP-UHFFFAOYSA-N
XLogP2.72
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.65
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(1-chloropropyl)-5-(3-methyl-1,2-oxazol-5-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

1-[5-(3-methyl-1,2-oxazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-1-ol
CID 103096517
3-(1-chloropropyl)-5-(5-methylfuran-3-yl)-1,2,4-oxadiazole
CID 103095423
3-(1-chloropropyl)-5-(6-methyl-2-pyridinyl)-1,2,4-oxadiazole
CID 103095388
5-(4-bromo-2,6-difluorophenyl)-3-(1-chloropropyl)-1,2,4-oxadiazole
CID 103095497
5-(3-chloro-4-methylphenyl)-3-(1-chloropropyl)-1,2,4-oxadiazole
CID 103095689
5-(3-bromo-5-fluorophenyl)-3-(1-chloropropyl)-1,2,4-oxadiazole
CID 103095623
3-(1-chloropropyl)-5-(1,3-thiazol-4-yl)-1,2,4-oxadiazole
CID 103095688
3-(1-chloropropyl)-5-(2,6-dichlorophenyl)-1,2,4-oxadiazole
CID 103095565
5-(2-bromo-4-fluorophenyl)-3-(1-chloropropyl)-1,2,4-oxadiazole
CID 103095522
5-(3-bromophenyl)-3-(1-chloropropyl)-1,2,4-oxadiazole
CID 103095340
3-[ethoxy(oxan-4-yl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)-1,2,4-oxadiazole
CID 136572097
3-(1-chloropropyl)-5-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazole
CID 103095464

Frequently Asked Questions

What is the IUPAC name of 3-(1-chloropropyl)-5-(3-methyl-1,2-oxazol-5-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(1-chloropropyl)-5-(3-methyl-1,2-oxazol-5-yl)-1,2,4-oxadiazole (CID 103095483) is 3-(1-chloropropyl)-5-(3-methyl-1,2-oxazol-5-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1-chloropropyl)-5-(3-methyl-1,2-oxazol-5-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(1-chloropropyl)-5-(3-methyl-1,2-oxazol-5-yl)-1,2,4-oxadiazole is CCC(Cl)c1noc(-c2cc(C)no2)n1.
What is the InChIKey of 3-(1-chloropropyl)-5-(3-methyl-1,2-oxazol-5-yl)-1,2,4-oxadiazole?
The InChIKey is AUEJJVCMKYTNEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3O2/c1-3-6(10)8-11-9(15-13-8)7-4-5(2)12-14-7/h4,6H,3H2,1-2H3.
What are the key properties of 3-(1-chloropropyl)-5-(3-methyl-1,2-oxazol-5-yl)-1,2,4-oxadiazole?
3-(1-chloropropyl)-5-(3-methyl-1,2-oxazol-5-yl)-1,2,4-oxadiazole has a molecular weight of 227.65 g/mol, XLogP of 2.72, 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-(3-methyl-1,2-oxazol-5-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 103095483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).