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

C7H5NO3 — CID 54232798

IUPAC3-(furan-3-yl)-4H-1,2-oxazol-5-one
SMILESO=C1CC(c2ccoc2)=NO1
InChIInChI=1S/C7H5NO3/c9-7-3-6(8-11-7)5-1-2-10-4-5/h1-2,4H,3H2
InChIKeyQKLFXNKSIRVOSS-UHFFFAOYSA-N
MW151.12 g/mol
LogP0.93
Rot. Bonds1

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

3-(furan-3-yl)-4H-1,2-oxazol-5-one (PubChem CID 54232798) has the molecular formula C7H5NO3 and a molecular weight of 151.12 g/mol. Its IUPAC name is 3-(furan-3-yl)-4H-1,2-oxazol-5-one.

Molecular Properties

Compound Name3-(furan-3-yl)-4H-1,2-oxazol-5-one
PubChem CID54232798
Molecular FormulaC7H5NO3
Molecular Weight151.12 g/mol
Exact Mass151.03
IUPAC Name3-(furan-3-yl)-4H-1,2-oxazol-5-one
SMILESO=C1CC(c2ccoc2)=NO1
InChIInChI=1S/C7H5NO3/c9-7-3-6(8-11-7)5-1-2-10-4-5/h1-2,4H,3H2
InChIKeyQKLFXNKSIRVOSS-UHFFFAOYSA-N
XLogP0.93
TPSA51.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.12
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'oxime_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-3-yl)-4H-1,2-oxazol-5-one?
The IUPAC name of 3-(furan-3-yl)-4H-1,2-oxazol-5-one (CID 54232798) is 3-(furan-3-yl)-4H-1,2-oxazol-5-one.
What is the SMILES notation for 3-(furan-3-yl)-4H-1,2-oxazol-5-one?
The canonical SMILES for 3-(furan-3-yl)-4H-1,2-oxazol-5-one is O=C1CC(c2ccoc2)=NO1.
What is the InChIKey of 3-(furan-3-yl)-4H-1,2-oxazol-5-one?
The InChIKey is QKLFXNKSIRVOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NO3/c9-7-3-6(8-11-7)5-1-2-10-4-5/h1-2,4H,3H2.
What are the key properties of 3-(furan-3-yl)-4H-1,2-oxazol-5-one?
3-(furan-3-yl)-4H-1,2-oxazol-5-one has a molecular weight of 151.12 g/mol, XLogP of 0.93, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-3-yl)-4H-1,2-oxazol-5-one is sourced from PubChem (CID 54232798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).