2-methyl-2H-1,3-oxazol-5-one

C4H5NO2 — CID 19078040

IUPAC2-methyl-2H-1,3-oxazol-5-one
SMILESCC1N=CC(=O)O1
InChIInChI=1S/C4H5NO2/c1-3-5-2-4(6)7-3/h2-3H,1H3
InChIKeyGDNDNYDPMMLDGJ-UHFFFAOYSA-N
MW99.09 g/mol
LogP-0.04
Rot. Bonds

About 2-methyl-2H-1,3-oxazol-5-one

2-methyl-2H-1,3-oxazol-5-one (PubChem CID 19078040) has the molecular formula C4H5NO2 and a molecular weight of 99.09 g/mol. Its IUPAC name is 2-methyl-2H-1,3-oxazol-5-one.

Molecular Properties

Compound Name2-methyl-2H-1,3-oxazol-5-one
PubChem CID19078040
Molecular FormulaC4H5NO2
Molecular Weight99.09 g/mol
Exact Mass99.03
IUPAC Name2-methyl-2H-1,3-oxazol-5-one
SMILESCC1N=CC(=O)O1
InChIInChI=1S/C4H5NO2/c1-3-5-2-4(6)7-3/h2-3H,1H3
InChIKeyGDNDNYDPMMLDGJ-UHFFFAOYSA-N
XLogP-0.04
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.09
LogP ≤ 5-0.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2H-1,3-oxazol-5-one?
The IUPAC name of 2-methyl-2H-1,3-oxazol-5-one (CID 19078040) is 2-methyl-2H-1,3-oxazol-5-one.
What is the SMILES notation for 2-methyl-2H-1,3-oxazol-5-one?
The canonical SMILES for 2-methyl-2H-1,3-oxazol-5-one is CC1N=CC(=O)O1.
What is the InChIKey of 2-methyl-2H-1,3-oxazol-5-one?
The InChIKey is GDNDNYDPMMLDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO2/c1-3-5-2-4(6)7-3/h2-3H,1H3.
What are the key properties of 2-methyl-2H-1,3-oxazol-5-one?
2-methyl-2H-1,3-oxazol-5-one has a molecular weight of 99.09 g/mol, XLogP of -0.04, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2H-1,3-oxazol-5-one is sourced from PubChem (CID 19078040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).