5-(2-bromofuran-3-yl)-2-(1-chloroethyl)-1,3-oxazole

C9H7BrClNO2 — CID 106856290

IUPAC5-(2-bromofuran-3-yl)-2-(1-chloroethyl)-1,3-oxazole
SMILESCC(Cl)c1ncc(-c2ccoc2Br)o1
InChIInChI=1S/C9H7BrClNO2/c1-5(11)9-12-4-7(14-9)6-2-3-13-8(6)10/h2-5H,1H3
InChIKeyQGTWCUIYPLHJHA-UHFFFAOYSA-N
MW276.52 g/mol
LogP4.00
Rot. Bonds2

About 5-(2-bromofuran-3-yl)-2-(1-chloroethyl)-1,3-oxazole

5-(2-bromofuran-3-yl)-2-(1-chloroethyl)-1,3-oxazole (PubChem CID 106856290) has the molecular formula C9H7BrClNO2 and a molecular weight of 276.52 g/mol. Its IUPAC name is 5-(2-bromofuran-3-yl)-2-(1-chloroethyl)-1,3-oxazole.

Molecular Properties

Compound Name5-(2-bromofuran-3-yl)-2-(1-chloroethyl)-1,3-oxazole
PubChem CID106856290
Molecular FormulaC9H7BrClNO2
Molecular Weight276.52 g/mol
Exact Mass274.93
IUPAC Name5-(2-bromofuran-3-yl)-2-(1-chloroethyl)-1,3-oxazole
SMILESCC(Cl)c1ncc(-c2ccoc2Br)o1
InChIInChI=1S/C9H7BrClNO2/c1-5(11)9-12-4-7(14-9)6-2-3-13-8(6)10/h2-5H,1H3
InChIKeyQGTWCUIYPLHJHA-UHFFFAOYSA-N
XLogP4.00
TPSA39.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.52
LogP ≤ 54.00
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-(2-bromofuran-3-yl)-2-(1-chloroethyl)-1,3-oxazole?
The IUPAC name of 5-(2-bromofuran-3-yl)-2-(1-chloroethyl)-1,3-oxazole (CID 106856290) is 5-(2-bromofuran-3-yl)-2-(1-chloroethyl)-1,3-oxazole.
What is the SMILES notation for 5-(2-bromofuran-3-yl)-2-(1-chloroethyl)-1,3-oxazole?
The canonical SMILES for 5-(2-bromofuran-3-yl)-2-(1-chloroethyl)-1,3-oxazole is CC(Cl)c1ncc(-c2ccoc2Br)o1.
What is the InChIKey of 5-(2-bromofuran-3-yl)-2-(1-chloroethyl)-1,3-oxazole?
The InChIKey is QGTWCUIYPLHJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrClNO2/c1-5(11)9-12-4-7(14-9)6-2-3-13-8(6)10/h2-5H,1H3.
What are the key properties of 5-(2-bromofuran-3-yl)-2-(1-chloroethyl)-1,3-oxazole?
5-(2-bromofuran-3-yl)-2-(1-chloroethyl)-1,3-oxazole has a molecular weight of 276.52 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromofuran-3-yl)-2-(1-chloroethyl)-1,3-oxazole is sourced from PubChem (CID 106856290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).