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

C8H7NO3 — CID 10773345

IUPAC5-(furan-2-yl)-4-methyl-1,2-oxazol-3-one
SMILESCc1c(-c2ccco2)o[nH]c1=O
InChIInChI=1S/C8H7NO3/c1-5-7(12-9-8(5)10)6-3-2-4-11-6/h2-4H,1H3,(H,9,10)
InChIKeyLYESODVARGIZAN-UHFFFAOYSA-N
MW165.15 g/mol
LogP1.54
Rot. Bonds1

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

5-(furan-2-yl)-4-methyl-1,2-oxazol-3-one (PubChem CID 10773345) has the molecular formula C8H7NO3 and a molecular weight of 165.15 g/mol. Its IUPAC name is 5-(furan-2-yl)-4-methyl-1,2-oxazol-3-one.

Molecular Properties

Compound Name5-(furan-2-yl)-4-methyl-1,2-oxazol-3-one
PubChem CID10773345
Molecular FormulaC8H7NO3
Molecular Weight165.15 g/mol
Exact Mass165.04
IUPAC Name5-(furan-2-yl)-4-methyl-1,2-oxazol-3-one
SMILESCc1c(-c2ccco2)o[nH]c1=O
InChIInChI=1S/C8H7NO3/c1-5-7(12-9-8(5)10)6-3-2-4-11-6/h2-4H,1H3,(H,9,10)
InChIKeyLYESODVARGIZAN-UHFFFAOYSA-N
XLogP1.54
TPSA59.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.15
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-4-methyl-1,2-oxazol-3-one?
The IUPAC name of 5-(furan-2-yl)-4-methyl-1,2-oxazol-3-one (CID 10773345) is 5-(furan-2-yl)-4-methyl-1,2-oxazol-3-one.
What is the SMILES notation for 5-(furan-2-yl)-4-methyl-1,2-oxazol-3-one?
The canonical SMILES for 5-(furan-2-yl)-4-methyl-1,2-oxazol-3-one is Cc1c(-c2ccco2)o[nH]c1=O.
What is the InChIKey of 5-(furan-2-yl)-4-methyl-1,2-oxazol-3-one?
The InChIKey is LYESODVARGIZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO3/c1-5-7(12-9-8(5)10)6-3-2-4-11-6/h2-4H,1H3,(H,9,10).
What are the key properties of 5-(furan-2-yl)-4-methyl-1,2-oxazol-3-one?
5-(furan-2-yl)-4-methyl-1,2-oxazol-3-one has a molecular weight of 165.15 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-4-methyl-1,2-oxazol-3-one is sourced from PubChem (CID 10773345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).