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

C12H14ClNO2 — CID 65179613

IUPAC2-(3-chloropropyl)-5-(2,5-dimethylfuran-3-yl)-1,3-oxazole
SMILESCc1cc(-c2cnc(CCCCl)o2)c(C)o1
InChIInChI=1S/C12H14ClNO2/c1-8-6-10(9(2)15-8)11-7-14-12(16-11)4-3-5-13/h6-7H,3-5H2,1-2H3
InChIKeyZJEHGFVFROHMEE-UHFFFAOYSA-N
MW239.70 g/mol
LogP3.72
Rot. Bonds4

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

2-(3-chloropropyl)-5-(2,5-dimethylfuran-3-yl)-1,3-oxazole (PubChem CID 65179613) has the molecular formula C12H14ClNO2 and a molecular weight of 239.70 g/mol. Its IUPAC name is 2-(3-chloropropyl)-5-(2,5-dimethylfuran-3-yl)-1,3-oxazole.

Molecular Properties

Compound Name2-(3-chloropropyl)-5-(2,5-dimethylfuran-3-yl)-1,3-oxazole
PubChem CID65179613
Molecular FormulaC12H14ClNO2
Molecular Weight239.70 g/mol
Exact Mass239.07
IUPAC Name2-(3-chloropropyl)-5-(2,5-dimethylfuran-3-yl)-1,3-oxazole
SMILESCc1cc(-c2cnc(CCCCl)o2)c(C)o1
InChIInChI=1S/C12H14ClNO2/c1-8-6-10(9(2)15-8)11-7-14-12(16-11)4-3-5-13/h6-7H,3-5H2,1-2H3
InChIKeyZJEHGFVFROHMEE-UHFFFAOYSA-N
XLogP3.72
TPSA39.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.70
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-dimethylfuran-3-yl)-1,3-oxazole?
The IUPAC name of 2-(3-chloropropyl)-5-(2,5-dimethylfuran-3-yl)-1,3-oxazole (CID 65179613) is 2-(3-chloropropyl)-5-(2,5-dimethylfuran-3-yl)-1,3-oxazole.
What is the SMILES notation for 2-(3-chloropropyl)-5-(2,5-dimethylfuran-3-yl)-1,3-oxazole?
The canonical SMILES for 2-(3-chloropropyl)-5-(2,5-dimethylfuran-3-yl)-1,3-oxazole is Cc1cc(-c2cnc(CCCCl)o2)c(C)o1.
What is the InChIKey of 2-(3-chloropropyl)-5-(2,5-dimethylfuran-3-yl)-1,3-oxazole?
The InChIKey is ZJEHGFVFROHMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO2/c1-8-6-10(9(2)15-8)11-7-14-12(16-11)4-3-5-13/h6-7H,3-5H2,1-2H3.
What are the key properties of 2-(3-chloropropyl)-5-(2,5-dimethylfuran-3-yl)-1,3-oxazole?
2-(3-chloropropyl)-5-(2,5-dimethylfuran-3-yl)-1,3-oxazole has a molecular weight of 239.70 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloropropyl)-5-(2,5-dimethylfuran-3-yl)-1,3-oxazole is sourced from PubChem (CID 65179613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).