4-benzyl-2-(furan-2-yl)-4H-1,3-oxazol-5-one

C14H11NO3 — CID 20540788

IUPAC4-benzyl-2-(furan-2-yl)-4H-1,3-oxazol-5-one
SMILESO=C1OC(c2ccco2)=NC1Cc1ccccc1
InChIInChI=1S/C14H11NO3/c16-14-11(9-10-5-2-1-3-6-10)15-13(18-14)12-7-4-8-17-12/h1-8,11H,9H2
InChIKeyOALXQKVZWFZMDD-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.19
Rot. Bonds3

About 4-benzyl-2-(furan-2-yl)-4H-1,3-oxazol-5-one

4-benzyl-2-(furan-2-yl)-4H-1,3-oxazol-5-one (PubChem CID 20540788) has the molecular formula C14H11NO3 and a molecular weight of 241.25 g/mol. Its IUPAC name is 4-benzyl-2-(furan-2-yl)-4H-1,3-oxazol-5-one.

Molecular Properties

Compound Name4-benzyl-2-(furan-2-yl)-4H-1,3-oxazol-5-one
PubChem CID20540788
Molecular FormulaC14H11NO3
Molecular Weight241.25 g/mol
Exact Mass241.07
IUPAC Name4-benzyl-2-(furan-2-yl)-4H-1,3-oxazol-5-one
SMILESO=C1OC(c2ccco2)=NC1Cc1ccccc1
InChIInChI=1S/C14H11NO3/c16-14-11(9-10-5-2-1-3-6-10)15-13(18-14)12-7-4-8-17-12/h1-8,11H,9H2
InChIKeyOALXQKVZWFZMDD-UHFFFAOYSA-N
XLogP2.19
TPSA51.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-(furan-2-yl)-4H-1,3-oxazol-5-one?
The IUPAC name of 4-benzyl-2-(furan-2-yl)-4H-1,3-oxazol-5-one (CID 20540788) is 4-benzyl-2-(furan-2-yl)-4H-1,3-oxazol-5-one.
What is the SMILES notation for 4-benzyl-2-(furan-2-yl)-4H-1,3-oxazol-5-one?
The canonical SMILES for 4-benzyl-2-(furan-2-yl)-4H-1,3-oxazol-5-one is O=C1OC(c2ccco2)=NC1Cc1ccccc1.
What is the InChIKey of 4-benzyl-2-(furan-2-yl)-4H-1,3-oxazol-5-one?
The InChIKey is OALXQKVZWFZMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO3/c16-14-11(9-10-5-2-1-3-6-10)15-13(18-14)12-7-4-8-17-12/h1-8,11H,9H2.
What are the key properties of 4-benzyl-2-(furan-2-yl)-4H-1,3-oxazol-5-one?
4-benzyl-2-(furan-2-yl)-4H-1,3-oxazol-5-one has a molecular weight of 241.25 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-(furan-2-yl)-4H-1,3-oxazol-5-one is sourced from PubChem (CID 20540788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).