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

C8H6ClNO2 — CID 130046853

IUPAC5-(chloromethyl)-2-(furan-3-yl)-1,3-oxazole
SMILESClCc1cnc(-c2ccoc2)o1
InChIInChI=1S/C8H6ClNO2/c9-3-7-4-10-8(12-7)6-1-2-11-5-6/h1-2,4-5H,3H2
InChIKeyDUQBQETVBJCOMP-UHFFFAOYSA-N
MW183.59 g/mol
LogP2.67
Rot. Bonds2

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

5-(chloromethyl)-2-(furan-3-yl)-1,3-oxazole (PubChem CID 130046853) has the molecular formula C8H6ClNO2 and a molecular weight of 183.59 g/mol. Its IUPAC name is 5-(chloromethyl)-2-(furan-3-yl)-1,3-oxazole.

Molecular Properties

Compound Name5-(chloromethyl)-2-(furan-3-yl)-1,3-oxazole
PubChem CID130046853
Molecular FormulaC8H6ClNO2
Molecular Weight183.59 g/mol
Exact Mass183.01
IUPAC Name5-(chloromethyl)-2-(furan-3-yl)-1,3-oxazole
SMILESClCc1cnc(-c2ccoc2)o1
InChIInChI=1S/C8H6ClNO2/c9-3-7-4-10-8(12-7)6-1-2-11-5-6/h1-2,4-5H,3H2
InChIKeyDUQBQETVBJCOMP-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 5-(chloromethyl)-2-(furan-3-yl)-1,3-oxazole?
The IUPAC name of 5-(chloromethyl)-2-(furan-3-yl)-1,3-oxazole (CID 130046853) is 5-(chloromethyl)-2-(furan-3-yl)-1,3-oxazole.
What is the SMILES notation for 5-(chloromethyl)-2-(furan-3-yl)-1,3-oxazole?
The canonical SMILES for 5-(chloromethyl)-2-(furan-3-yl)-1,3-oxazole is ClCc1cnc(-c2ccoc2)o1.
What is the InChIKey of 5-(chloromethyl)-2-(furan-3-yl)-1,3-oxazole?
The InChIKey is DUQBQETVBJCOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClNO2/c9-3-7-4-10-8(12-7)6-1-2-11-5-6/h1-2,4-5H,3H2.
What are the key properties of 5-(chloromethyl)-2-(furan-3-yl)-1,3-oxazole?
5-(chloromethyl)-2-(furan-3-yl)-1,3-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 5-(chloromethyl)-2-(furan-3-yl)-1,3-oxazole is sourced from PubChem (CID 130046853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).