3-methyl-2H-1,3-oxazole

C4H7NO — CID 19079310

IUPAC3-methyl-2H-1,3-oxazole
SMILESCN1C=COC1
InChIInChI=1S/C4H7NO/c1-5-2-3-6-4-5/h2-3H,4H2,1H3
InChIKeyVNKZQBKUCFALNT-UHFFFAOYSA-N
MW85.11 g/mol
LogP0.38
Rot. Bonds

About 3-methyl-2H-1,3-oxazole

3-methyl-2H-1,3-oxazole (PubChem CID 19079310) has the molecular formula C4H7NO and a molecular weight of 85.11 g/mol. Its IUPAC name is 3-methyl-2H-1,3-oxazole.

Molecular Properties

Compound Name3-methyl-2H-1,3-oxazole
PubChem CID19079310
Molecular FormulaC4H7NO
Molecular Weight85.11 g/mol
Exact Mass85.05
IUPAC Name3-methyl-2H-1,3-oxazole
SMILESCN1C=COC1
InChIInChI=1S/C4H7NO/c1-5-2-3-6-4-5/h2-3H,4H2,1H3
InChIKeyVNKZQBKUCFALNT-UHFFFAOYSA-N
XLogP0.38
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50085.11
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2H-1,3-oxazole?
The IUPAC name of 3-methyl-2H-1,3-oxazole (CID 19079310) is 3-methyl-2H-1,3-oxazole.
What is the SMILES notation for 3-methyl-2H-1,3-oxazole?
The canonical SMILES for 3-methyl-2H-1,3-oxazole is CN1C=COC1.
What is the InChIKey of 3-methyl-2H-1,3-oxazole?
The InChIKey is VNKZQBKUCFALNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO/c1-5-2-3-6-4-5/h2-3H,4H2,1H3.
What are the key properties of 3-methyl-2H-1,3-oxazole?
3-methyl-2H-1,3-oxazole has a molecular weight of 85.11 g/mol, XLogP of 0.38, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2H-1,3-oxazole is sourced from PubChem (CID 19079310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).