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

C8H6ClNO2 — CID 4962799

IUPAC3-(chloromethyl)-5-(furan-2-yl)-1,2-oxazole
SMILESClCc1cc(-c2ccco2)on1
InChIInChI=1S/C8H6ClNO2/c9-5-6-4-8(12-10-6)7-2-1-3-11-7/h1-4H,5H2
InChIKeyIPIMDVOPXIOKAK-UHFFFAOYSA-N
MW183.59 g/mol
LogP2.67
Rot. Bonds2

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

3-(chloromethyl)-5-(furan-2-yl)-1,2-oxazole (PubChem CID 4962799) has the molecular formula C8H6ClNO2 and a molecular weight of 183.59 g/mol. Its IUPAC name is 3-(chloromethyl)-5-(furan-2-yl)-1,2-oxazole.

Molecular Properties

Compound Name3-(chloromethyl)-5-(furan-2-yl)-1,2-oxazole
PubChem CID4962799
Molecular FormulaC8H6ClNO2
Molecular Weight183.59 g/mol
Exact Mass183.01
IUPAC Name3-(chloromethyl)-5-(furan-2-yl)-1,2-oxazole
SMILESClCc1cc(-c2ccco2)on1
InChIInChI=1S/C8H6ClNO2/c9-5-6-4-8(12-10-6)7-2-1-3-11-7/h1-4H,5H2
InChIKeyIPIMDVOPXIOKAK-UHFFFAOYSA-N
XLogP2.67
TPSA39.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.59
LogP ≤ 52.67
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 3-(chloromethyl)-5-(furan-2-yl)-1,2-oxazole?
The IUPAC name of 3-(chloromethyl)-5-(furan-2-yl)-1,2-oxazole (CID 4962799) is 3-(chloromethyl)-5-(furan-2-yl)-1,2-oxazole.
What is the SMILES notation for 3-(chloromethyl)-5-(furan-2-yl)-1,2-oxazole?
The canonical SMILES for 3-(chloromethyl)-5-(furan-2-yl)-1,2-oxazole is ClCc1cc(-c2ccco2)on1.
What is the InChIKey of 3-(chloromethyl)-5-(furan-2-yl)-1,2-oxazole?
The InChIKey is IPIMDVOPXIOKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClNO2/c9-5-6-4-8(12-10-6)7-2-1-3-11-7/h1-4H,5H2.
What are the key properties of 3-(chloromethyl)-5-(furan-2-yl)-1,2-oxazole?
3-(chloromethyl)-5-(furan-2-yl)-1,2-oxazole has a molecular weight of 183.59 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-5-(furan-2-yl)-1,2-oxazole is sourced from PubChem (CID 4962799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).