1-[5-(hydroxymethyl)-1,2-oxazol-3-yl]ethanone

C6H7NO3 — CID 10558709

IUPAC1-[5-(hydroxymethyl)-1,2-oxazol-3-yl]ethanone
SMILESCC(=O)c1cc(CO)on1
InChIInChI=1S/C6H7NO3/c1-4(9)6-2-5(3-8)10-7-6/h2,8H,3H2,1H3
InChIKeyTYSIOSQTKJIFMJ-UHFFFAOYSA-N
MW141.13 g/mol
LogP0.37
Rot. Bonds2

About 1-[5-(hydroxymethyl)-1,2-oxazol-3-yl]ethanone

1-[5-(hydroxymethyl)-1,2-oxazol-3-yl]ethanone (PubChem CID 10558709) has the molecular formula C6H7NO3 and a molecular weight of 141.13 g/mol. Its IUPAC name is 1-[5-(hydroxymethyl)-1,2-oxazol-3-yl]ethanone.

Molecular Properties

Compound Name1-[5-(hydroxymethyl)-1,2-oxazol-3-yl]ethanone
PubChem CID10558709
Molecular FormulaC6H7NO3
Molecular Weight141.13 g/mol
Exact Mass141.04
IUPAC Name1-[5-(hydroxymethyl)-1,2-oxazol-3-yl]ethanone
SMILESCC(=O)c1cc(CO)on1
InChIInChI=1S/C6H7NO3/c1-4(9)6-2-5(3-8)10-7-6/h2,8H,3H2,1H3
InChIKeyTYSIOSQTKJIFMJ-UHFFFAOYSA-N
XLogP0.37
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(hydroxymethyl)-1,2-oxazol-3-yl]ethanone?
The IUPAC name of 1-[5-(hydroxymethyl)-1,2-oxazol-3-yl]ethanone (CID 10558709) is 1-[5-(hydroxymethyl)-1,2-oxazol-3-yl]ethanone.
What is the SMILES notation for 1-[5-(hydroxymethyl)-1,2-oxazol-3-yl]ethanone?
The canonical SMILES for 1-[5-(hydroxymethyl)-1,2-oxazol-3-yl]ethanone is CC(=O)c1cc(CO)on1.
What is the InChIKey of 1-[5-(hydroxymethyl)-1,2-oxazol-3-yl]ethanone?
The InChIKey is TYSIOSQTKJIFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO3/c1-4(9)6-2-5(3-8)10-7-6/h2,8H,3H2,1H3.
What are the key properties of 1-[5-(hydroxymethyl)-1,2-oxazol-3-yl]ethanone?
1-[5-(hydroxymethyl)-1,2-oxazol-3-yl]ethanone has a molecular weight of 141.13 g/mol, XLogP of 0.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(hydroxymethyl)-1,2-oxazol-3-yl]ethanone is sourced from PubChem (CID 10558709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).