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

C10H10ClNO2 — CID 65179426

IUPAC2-(3-chloropropyl)-5-(furan-2-yl)-1,3-oxazole
SMILESClCCCc1ncc(-c2ccco2)o1
InChIInChI=1S/C10H10ClNO2/c11-5-1-4-10-12-7-9(14-10)8-3-2-6-13-8/h2-3,6-7H,1,4-5H2
InChIKeyJBWXQFPWDJMXMU-UHFFFAOYSA-N
MW211.65 g/mol
LogP3.11
Rot. Bonds4

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

2-(3-chloropropyl)-5-(furan-2-yl)-1,3-oxazole (PubChem CID 65179426) has the molecular formula C10H10ClNO2 and a molecular weight of 211.65 g/mol. Its IUPAC name is 2-(3-chloropropyl)-5-(furan-2-yl)-1,3-oxazole.

Molecular Properties

Compound Name2-(3-chloropropyl)-5-(furan-2-yl)-1,3-oxazole
PubChem CID65179426
Molecular FormulaC10H10ClNO2
Molecular Weight211.65 g/mol
Exact Mass211.04
IUPAC Name2-(3-chloropropyl)-5-(furan-2-yl)-1,3-oxazole
SMILESClCCCc1ncc(-c2ccco2)o1
InChIInChI=1S/C10H10ClNO2/c11-5-1-4-10-12-7-9(14-10)8-3-2-6-13-8/h2-3,6-7H,1,4-5H2
InChIKeyJBWXQFPWDJMXMU-UHFFFAOYSA-N
XLogP3.11
TPSA39.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.65
LogP ≤ 53.11
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-(furan-2-yl)-1,3-oxazole?
The IUPAC name of 2-(3-chloropropyl)-5-(furan-2-yl)-1,3-oxazole (CID 65179426) is 2-(3-chloropropyl)-5-(furan-2-yl)-1,3-oxazole.
What is the SMILES notation for 2-(3-chloropropyl)-5-(furan-2-yl)-1,3-oxazole?
The canonical SMILES for 2-(3-chloropropyl)-5-(furan-2-yl)-1,3-oxazole is ClCCCc1ncc(-c2ccco2)o1.
What is the InChIKey of 2-(3-chloropropyl)-5-(furan-2-yl)-1,3-oxazole?
The InChIKey is JBWXQFPWDJMXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO2/c11-5-1-4-10-12-7-9(14-10)8-3-2-6-13-8/h2-3,6-7H,1,4-5H2.
What are the key properties of 2-(3-chloropropyl)-5-(furan-2-yl)-1,3-oxazole?
2-(3-chloropropyl)-5-(furan-2-yl)-1,3-oxazole has a molecular weight of 211.65 g/mol, XLogP of 3.11, 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-(furan-2-yl)-1,3-oxazole is sourced from PubChem (CID 65179426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).