2-(3-chloropropyl)-5-(2,5-dimethylpyrazol-3-yl)-1,3-oxazole

C11H14ClN3O — CID 66127379

IUPAC2-(3-chloropropyl)-5-(2,5-dimethylpyrazol-3-yl)-1,3-oxazole
SMILESCc1cc(-c2cnc(CCCCl)o2)n(C)n1
InChIInChI=1S/C11H14ClN3O/c1-8-6-9(15(2)14-8)10-7-13-11(16-10)4-3-5-12/h6-7H,3-5H2,1-2H3
InChIKeySTXASSDRFNWWSO-UHFFFAOYSA-N
MW239.71 g/mol
LogP2.55
Rot. Bonds4

About 2-(3-chloropropyl)-5-(2,5-dimethylpyrazol-3-yl)-1,3-oxazole

2-(3-chloropropyl)-5-(2,5-dimethylpyrazol-3-yl)-1,3-oxazole (PubChem CID 66127379) has the molecular formula C11H14ClN3O and a molecular weight of 239.71 g/mol. Its IUPAC name is 2-(3-chloropropyl)-5-(2,5-dimethylpyrazol-3-yl)-1,3-oxazole.

Molecular Properties

Compound Name2-(3-chloropropyl)-5-(2,5-dimethylpyrazol-3-yl)-1,3-oxazole
PubChem CID66127379
Molecular FormulaC11H14ClN3O
Molecular Weight239.71 g/mol
Exact Mass239.08
IUPAC Name2-(3-chloropropyl)-5-(2,5-dimethylpyrazol-3-yl)-1,3-oxazole
SMILESCc1cc(-c2cnc(CCCCl)o2)n(C)n1
InChIInChI=1S/C11H14ClN3O/c1-8-6-9(15(2)14-8)10-7-13-11(16-10)4-3-5-12/h6-7H,3-5H2,1-2H3
InChIKeySTXASSDRFNWWSO-UHFFFAOYSA-N
XLogP2.55
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.71
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloropropyl)-5-(2,5-dimethylpyrazol-3-yl)-1,3-oxazole?
The IUPAC name of 2-(3-chloropropyl)-5-(2,5-dimethylpyrazol-3-yl)-1,3-oxazole (CID 66127379) is 2-(3-chloropropyl)-5-(2,5-dimethylpyrazol-3-yl)-1,3-oxazole.
What is the SMILES notation for 2-(3-chloropropyl)-5-(2,5-dimethylpyrazol-3-yl)-1,3-oxazole?
The canonical SMILES for 2-(3-chloropropyl)-5-(2,5-dimethylpyrazol-3-yl)-1,3-oxazole is Cc1cc(-c2cnc(CCCCl)o2)n(C)n1.
What is the InChIKey of 2-(3-chloropropyl)-5-(2,5-dimethylpyrazol-3-yl)-1,3-oxazole?
The InChIKey is STXASSDRFNWWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O/c1-8-6-9(15(2)14-8)10-7-13-11(16-10)4-3-5-12/h6-7H,3-5H2,1-2H3.
What are the key properties of 2-(3-chloropropyl)-5-(2,5-dimethylpyrazol-3-yl)-1,3-oxazole?
2-(3-chloropropyl)-5-(2,5-dimethylpyrazol-3-yl)-1,3-oxazole has a molecular weight of 239.71 g/mol, XLogP of 2.55, 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-(2,5-dimethylpyrazol-3-yl)-1,3-oxazole is sourced from PubChem (CID 66127379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).