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

C13H9NO2 — CID 725509

IUPAC3-(furan-2-yl)-5-phenyl-1,2-oxazole
SMILESc1ccc(-c2cc(-c3ccco3)no2)cc1
InChIInChI=1S/C13H9NO2/c1-2-5-10(6-3-1)13-9-11(14-16-13)12-7-4-8-15-12/h1-9H
InChIKeyMUELJGRGEVZXPU-UHFFFAOYSA-N
MW211.22 g/mol
LogP3.60
Rot. Bonds2

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

3-(furan-2-yl)-5-phenyl-1,2-oxazole (PubChem CID 725509) has the molecular formula C13H9NO2 and a molecular weight of 211.22 g/mol. Its IUPAC name is 3-(furan-2-yl)-5-phenyl-1,2-oxazole.

Molecular Properties

Compound Name3-(furan-2-yl)-5-phenyl-1,2-oxazole
PubChem CID725509
Molecular FormulaC13H9NO2
Molecular Weight211.22 g/mol
Exact Mass211.06
IUPAC Name3-(furan-2-yl)-5-phenyl-1,2-oxazole
SMILESc1ccc(-c2cc(-c3ccco3)no2)cc1
InChIInChI=1S/C13H9NO2/c1-2-5-10(6-3-1)13-9-11(14-16-13)12-7-4-8-15-12/h1-9H
InChIKeyMUELJGRGEVZXPU-UHFFFAOYSA-N
XLogP3.60
TPSA39.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-5-phenyl-1,2-oxazole?
The IUPAC name of 3-(furan-2-yl)-5-phenyl-1,2-oxazole (CID 725509) is 3-(furan-2-yl)-5-phenyl-1,2-oxazole.
What is the SMILES notation for 3-(furan-2-yl)-5-phenyl-1,2-oxazole?
The canonical SMILES for 3-(furan-2-yl)-5-phenyl-1,2-oxazole is c1ccc(-c2cc(-c3ccco3)no2)cc1.
What is the InChIKey of 3-(furan-2-yl)-5-phenyl-1,2-oxazole?
The InChIKey is MUELJGRGEVZXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO2/c1-2-5-10(6-3-1)13-9-11(14-16-13)12-7-4-8-15-12/h1-9H.
What are the key properties of 3-(furan-2-yl)-5-phenyl-1,2-oxazole?
3-(furan-2-yl)-5-phenyl-1,2-oxazole has a molecular weight of 211.22 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-5-phenyl-1,2-oxazole is sourced from PubChem (CID 725509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).