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

C13H10ClNO2 — CID 65179468

IUPAC5-(1-benzofuran-3-yl)-2-(1-chloroethyl)-1,3-oxazole
SMILESCC(Cl)c1ncc(-c2coc3ccccc23)o1
InChIInChI=1S/C13H10ClNO2/c1-8(14)13-15-6-12(17-13)10-7-16-11-5-3-2-4-9(10)11/h2-8H,1H3
InChIKeyBSLBFCYXBBLULC-UHFFFAOYSA-N
MW247.68 g/mol
LogP4.39
Rot. Bonds2

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

5-(1-benzofuran-3-yl)-2-(1-chloroethyl)-1,3-oxazole (PubChem CID 65179468) has the molecular formula C13H10ClNO2 and a molecular weight of 247.68 g/mol. Its IUPAC name is 5-(1-benzofuran-3-yl)-2-(1-chloroethyl)-1,3-oxazole.

Molecular Properties

Compound Name5-(1-benzofuran-3-yl)-2-(1-chloroethyl)-1,3-oxazole
PubChem CID65179468
Molecular FormulaC13H10ClNO2
Molecular Weight247.68 g/mol
Exact Mass247.04
IUPAC Name5-(1-benzofuran-3-yl)-2-(1-chloroethyl)-1,3-oxazole
SMILESCC(Cl)c1ncc(-c2coc3ccccc23)o1
InChIInChI=1S/C13H10ClNO2/c1-8(14)13-15-6-12(17-13)10-7-16-11-5-3-2-4-9(10)11/h2-8H,1H3
InChIKeyBSLBFCYXBBLULC-UHFFFAOYSA-N
XLogP4.39
TPSA39.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.68
LogP ≤ 54.39
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-(1-benzofuran-3-yl)-2-(1-chloroethyl)-1,3-oxazole?
The IUPAC name of 5-(1-benzofuran-3-yl)-2-(1-chloroethyl)-1,3-oxazole (CID 65179468) is 5-(1-benzofuran-3-yl)-2-(1-chloroethyl)-1,3-oxazole.
What is the SMILES notation for 5-(1-benzofuran-3-yl)-2-(1-chloroethyl)-1,3-oxazole?
The canonical SMILES for 5-(1-benzofuran-3-yl)-2-(1-chloroethyl)-1,3-oxazole is CC(Cl)c1ncc(-c2coc3ccccc23)o1.
What is the InChIKey of 5-(1-benzofuran-3-yl)-2-(1-chloroethyl)-1,3-oxazole?
The InChIKey is BSLBFCYXBBLULC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO2/c1-8(14)13-15-6-12(17-13)10-7-16-11-5-3-2-4-9(10)11/h2-8H,1H3.
What are the key properties of 5-(1-benzofuran-3-yl)-2-(1-chloroethyl)-1,3-oxazole?
5-(1-benzofuran-3-yl)-2-(1-chloroethyl)-1,3-oxazole has a molecular weight of 247.68 g/mol, XLogP of 4.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzofuran-3-yl)-2-(1-chloroethyl)-1,3-oxazole is sourced from PubChem (CID 65179468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).