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

C11H12ClN3O — CID 106752784

IUPAC2-(3-chloropropyl)-5-(2-methyl-4-pyridinyl)-1,3,4-oxadiazole
SMILESCc1cc(-c2nnc(CCCCl)o2)ccn1
InChIInChI=1S/C11H12ClN3O/c1-8-7-9(4-6-13-8)11-15-14-10(16-11)3-2-5-12/h4,6-7H,2-3,5H2,1H3
InChIKeyJRFCSAGMSWPXHI-UHFFFAOYSA-N
MW237.69 g/mol
LogP2.61
Rot. Bonds4

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

2-(3-chloropropyl)-5-(2-methyl-4-pyridinyl)-1,3,4-oxadiazole (PubChem CID 106752784) has the molecular formula C11H12ClN3O and a molecular weight of 237.69 g/mol. Its IUPAC name is 2-(3-chloropropyl)-5-(2-methyl-4-pyridinyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3-chloropropyl)-5-(2-methyl-4-pyridinyl)-1,3,4-oxadiazole
PubChem CID106752784
Molecular FormulaC11H12ClN3O
Molecular Weight237.69 g/mol
Exact Mass237.07
IUPAC Name2-(3-chloropropyl)-5-(2-methyl-4-pyridinyl)-1,3,4-oxadiazole
SMILESCc1cc(-c2nnc(CCCCl)o2)ccn1
InChIInChI=1S/C11H12ClN3O/c1-8-7-9(4-6-13-8)11-15-14-10(16-11)3-2-5-12/h4,6-7H,2-3,5H2,1H3
InChIKeyJRFCSAGMSWPXHI-UHFFFAOYSA-N
XLogP2.61
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 52.61
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

2-(3-chloropropyl)-5-(3,4-dimethylphenyl)-1,3,4-oxadiazole
CID 43513385
5-[5-(3-chloropropyl)-1,3,4-oxadiazol-2-yl]-2-methylphenol
CID 43513406
2-(3-chloropropyl)-5-(4-fluoro-3-methylphenyl)-1,3,4-oxadiazole
CID 63209997
2-(3-chloropropyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole
CID 39356122
2-(3-chloropropyl)-5-thiophen-3-yl-1,3,4-oxadiazole
CID 43513413
2-(3-chloropropyl)-5-(1,3-dihydro-2-benzofuran-5-yl)-1,3,4-oxadiazole
CID 55230879
2-(3-chloropropyl)-5-(2,5-dimethylphenyl)-1,3,4-oxadiazole
CID 43513368
2-(3-chloropropyl)-5-(3-propan-2-yloxyphenyl)-1,3,4-oxadiazole
CID 62919288
2-(3-chloropropyl)-5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazole
CID 43513417
2-(2-chloroethyl)-5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazole
CID 43513255
2-(2-chloroethyl)-5-pyridazin-4-yl-1,3,4-oxadiazole
CID 104669988
2-(3-chloropropyl)-5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazole
CID 65199305

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloropropyl)-5-(2-methyl-4-pyridinyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(3-chloropropyl)-5-(2-methyl-4-pyridinyl)-1,3,4-oxadiazole (CID 106752784) is 2-(3-chloropropyl)-5-(2-methyl-4-pyridinyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3-chloropropyl)-5-(2-methyl-4-pyridinyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(3-chloropropyl)-5-(2-methyl-4-pyridinyl)-1,3,4-oxadiazole is Cc1cc(-c2nnc(CCCCl)o2)ccn1.
What is the InChIKey of 2-(3-chloropropyl)-5-(2-methyl-4-pyridinyl)-1,3,4-oxadiazole?
The InChIKey is JRFCSAGMSWPXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O/c1-8-7-9(4-6-13-8)11-15-14-10(16-11)3-2-5-12/h4,6-7H,2-3,5H2,1H3.
What are the key properties of 2-(3-chloropropyl)-5-(2-methyl-4-pyridinyl)-1,3,4-oxadiazole?
2-(3-chloropropyl)-5-(2-methyl-4-pyridinyl)-1,3,4-oxadiazole has a molecular weight of 237.69 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloropropyl)-5-(2-methyl-4-pyridinyl)-1,3,4-oxadiazole is sourced from PubChem (CID 106752784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).