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

C9H9NO3 — CID 24825951

IUPAC3-(3,5-dimethyl-1,2-oxazol-4-yl)-2H-furan-5-one
SMILESCc1noc(C)c1C1=CC(=O)OC1
InChIInChI=1S/C9H9NO3/c1-5-9(6(2)13-10-5)7-3-8(11)12-4-7/h3H,4H2,1-2H3
InChIKeyQFILCJIQGPTOEJ-UHFFFAOYSA-N
MW179.17 g/mol
LogP1.23
Rot. Bonds1

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

3-(3,5-dimethyl-1,2-oxazol-4-yl)-2H-furan-5-one (PubChem CID 24825951) has the molecular formula C9H9NO3 and a molecular weight of 179.17 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-2H-furan-5-one.

Molecular Properties

Compound Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-2H-furan-5-one
PubChem CID24825951
Molecular FormulaC9H9NO3
Molecular Weight179.17 g/mol
Exact Mass179.06
IUPAC Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-2H-furan-5-one
SMILESCc1noc(C)c1C1=CC(=O)OC1
InChIInChI=1S/C9H9NO3/c1-5-9(6(2)13-10-5)7-3-8(11)12-4-7/h3H,4H2,1-2H3
InChIKeyQFILCJIQGPTOEJ-UHFFFAOYSA-N
XLogP1.23
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-2H-furan-5-one?
The IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-2H-furan-5-one (CID 24825951) is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-2H-furan-5-one.
What is the SMILES notation for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-2H-furan-5-one?
The canonical SMILES for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-2H-furan-5-one is Cc1noc(C)c1C1=CC(=O)OC1.
What is the InChIKey of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-2H-furan-5-one?
The InChIKey is QFILCJIQGPTOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO3/c1-5-9(6(2)13-10-5)7-3-8(11)12-4-7/h3H,4H2,1-2H3.
What are the key properties of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-2H-furan-5-one?
3-(3,5-dimethyl-1,2-oxazol-4-yl)-2H-furan-5-one has a molecular weight of 179.17 g/mol, XLogP of 1.23, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-2H-furan-5-one is sourced from PubChem (CID 24825951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).