3-(1-chloropropyl)-5-(6-methyl-2-pyridinyl)-1,2,4-oxadiazole

C11H12ClN3O — CID 103095388

IUPAC3-(1-chloropropyl)-5-(6-methyl-2-pyridinyl)-1,2,4-oxadiazole
SMILESCCC(Cl)c1noc(-c2cccc(C)n2)n1
InChIInChI=1S/C11H12ClN3O/c1-3-8(12)10-14-11(16-15-10)9-6-4-5-7(2)13-9/h4-6,8H,3H2,1-2H3
InChIKeyBGTHTGFJCXMBHJ-UHFFFAOYSA-N
MW237.69 g/mol
LogP3.13
Rot. Bonds3

About 3-(1-chloropropyl)-5-(6-methyl-2-pyridinyl)-1,2,4-oxadiazole

3-(1-chloropropyl)-5-(6-methyl-2-pyridinyl)-1,2,4-oxadiazole (PubChem CID 103095388) has the molecular formula C11H12ClN3O and a molecular weight of 237.69 g/mol. Its IUPAC name is 3-(1-chloropropyl)-5-(6-methyl-2-pyridinyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1-chloropropyl)-5-(6-methyl-2-pyridinyl)-1,2,4-oxadiazole
PubChem CID103095388
Molecular FormulaC11H12ClN3O
Molecular Weight237.69 g/mol
Exact Mass237.07
IUPAC Name3-(1-chloropropyl)-5-(6-methyl-2-pyridinyl)-1,2,4-oxadiazole
SMILESCCC(Cl)c1noc(-c2cccc(C)n2)n1
InChIInChI=1S/C11H12ClN3O/c1-3-8(12)10-14-11(16-15-10)9-6-4-5-7(2)13-9/h4-6,8H,3H2,1-2H3
InChIKeyBGTHTGFJCXMBHJ-UHFFFAOYSA-N
XLogP3.13
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 53.13
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

3-(1-chloropropyl)-5-(2,6-dichlorophenyl)-1,2,4-oxadiazole
CID 103095565
3-(1-chloropropyl)-5-(3-methyl-1,2-oxazol-5-yl)-1,2,4-oxadiazole
CID 103095483
3-(1-chloropropyl)-5-(2-methylsulfanylphenyl)-1,2,4-oxadiazole
CID 103095546
5-(3-bromophenyl)-3-(1-chloropropyl)-1,2,4-oxadiazole
CID 103095340
3-(1-chloropropyl)-5-(1,3-thiazol-4-yl)-1,2,4-oxadiazole
CID 103095688
3-(1-chloropropyl)-5-(5-methylfuran-3-yl)-1,2,4-oxadiazole
CID 103095423
5-(3-chloro-4-methylphenyl)-3-(1-chloropropyl)-1,2,4-oxadiazole
CID 103095689
3-(1-chloropropyl)-5-(1-phenylpyrazol-4-yl)-1,2,4-oxadiazole
CID 103095653
3-(1-chloropropyl)-5-(1-phenylpropyl)-1,2,4-oxadiazole
CID 103095669
3-[5-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenol
CID 43120309
5-(4-bromo-2,6-difluorophenyl)-3-(1-chloropropyl)-1,2,4-oxadiazole
CID 103095497
5-(2-bromo-4-fluorophenyl)-3-(1-chloropropyl)-1,2,4-oxadiazole
CID 103095522

Frequently Asked Questions

What is the IUPAC name of 3-(1-chloropropyl)-5-(6-methyl-2-pyridinyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(1-chloropropyl)-5-(6-methyl-2-pyridinyl)-1,2,4-oxadiazole (CID 103095388) is 3-(1-chloropropyl)-5-(6-methyl-2-pyridinyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1-chloropropyl)-5-(6-methyl-2-pyridinyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(1-chloropropyl)-5-(6-methyl-2-pyridinyl)-1,2,4-oxadiazole is CCC(Cl)c1noc(-c2cccc(C)n2)n1.
What is the InChIKey of 3-(1-chloropropyl)-5-(6-methyl-2-pyridinyl)-1,2,4-oxadiazole?
The InChIKey is BGTHTGFJCXMBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O/c1-3-8(12)10-14-11(16-15-10)9-6-4-5-7(2)13-9/h4-6,8H,3H2,1-2H3.
What are the key properties of 3-(1-chloropropyl)-5-(6-methyl-2-pyridinyl)-1,2,4-oxadiazole?
3-(1-chloropropyl)-5-(6-methyl-2-pyridinyl)-1,2,4-oxadiazole has a molecular weight of 237.69 g/mol, XLogP of 3.13, 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-(6-methyl-2-pyridinyl)-1,2,4-oxadiazole is sourced from PubChem (CID 103095388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).