3-[2-(1-fluoropropyl)-1-benzofuran-5-yl]-1,2-oxazole

C14H12FNO2 — CID 174971107

IUPAC3-[2-(1-fluoropropyl)-1-benzofuran-5-yl]-1,2-oxazole
SMILESCCC(F)c1cc2cc(-c3ccon3)ccc2o1
InChIInChI=1S/C14H12FNO2/c1-2-11(15)14-8-10-7-9(3-4-13(10)18-14)12-5-6-17-16-12/h3-8,11H,2H2,1H3
InChIKeyBQNAOSDKLYXCNF-UHFFFAOYSA-N
MW245.25 g/mol
LogP4.51
Rot. Bonds3

About 3-[2-(1-fluoropropyl)-1-benzofuran-5-yl]-1,2-oxazole

3-[2-(1-fluoropropyl)-1-benzofuran-5-yl]-1,2-oxazole (PubChem CID 174971107) has the molecular formula C14H12FNO2 and a molecular weight of 245.25 g/mol. Its IUPAC name is 3-[2-(1-fluoropropyl)-1-benzofuran-5-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-[2-(1-fluoropropyl)-1-benzofuran-5-yl]-1,2-oxazole
PubChem CID174971107
Molecular FormulaC14H12FNO2
Molecular Weight245.25 g/mol
Exact Mass245.09
IUPAC Name3-[2-(1-fluoropropyl)-1-benzofuran-5-yl]-1,2-oxazole
SMILESCCC(F)c1cc2cc(-c3ccon3)ccc2o1
InChIInChI=1S/C14H12FNO2/c1-2-11(15)14-8-10-7-9(3-4-13(10)18-14)12-5-6-17-16-12/h3-8,11H,2H2,1H3
InChIKeyBQNAOSDKLYXCNF-UHFFFAOYSA-N
XLogP4.51
TPSA39.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[2-(1-fluoropropyl)-1-benzofuran-5-yl]-1,2-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-fluoropropyl)-1-benzofuran-5-yl]-1,2-oxazole?
The IUPAC name of 3-[2-(1-fluoropropyl)-1-benzofuran-5-yl]-1,2-oxazole (CID 174971107) is 3-[2-(1-fluoropropyl)-1-benzofuran-5-yl]-1,2-oxazole.
What is the SMILES notation for 3-[2-(1-fluoropropyl)-1-benzofuran-5-yl]-1,2-oxazole?
The canonical SMILES for 3-[2-(1-fluoropropyl)-1-benzofuran-5-yl]-1,2-oxazole is CCC(F)c1cc2cc(-c3ccon3)ccc2o1.
What is the InChIKey of 3-[2-(1-fluoropropyl)-1-benzofuran-5-yl]-1,2-oxazole?
The InChIKey is BQNAOSDKLYXCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO2/c1-2-11(15)14-8-10-7-9(3-4-13(10)18-14)12-5-6-17-16-12/h3-8,11H,2H2,1H3.
What are the key properties of 3-[2-(1-fluoropropyl)-1-benzofuran-5-yl]-1,2-oxazole?
3-[2-(1-fluoropropyl)-1-benzofuran-5-yl]-1,2-oxazole has a molecular weight of 245.25 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-fluoropropyl)-1-benzofuran-5-yl]-1,2-oxazole is sourced from PubChem (CID 174971107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).