5-methyl-2,5-dihydro-1,2-oxazole

C4H7NO — CID 22344530

IUPAC5-methyl-2,5-dihydro-1,2-oxazole
SMILESCC1C=CNO1
InChIInChI=1S/C4H7NO/c1-4-2-3-5-6-4/h2-5H,1H3
InChIKeyXRUJYVWZXUFOQW-UHFFFAOYSA-N
MW85.11 g/mol
LogP0.42
Rot. Bonds

About 5-methyl-2,5-dihydro-1,2-oxazole

5-methyl-2,5-dihydro-1,2-oxazole (PubChem CID 22344530) has the molecular formula C4H7NO and a molecular weight of 85.11 g/mol. Its IUPAC name is 5-methyl-2,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-2,5-dihydro-1,2-oxazole
PubChem CID22344530
Molecular FormulaC4H7NO
Molecular Weight85.11 g/mol
Exact Mass85.05
IUPAC Name5-methyl-2,5-dihydro-1,2-oxazole
SMILESCC1C=CNO1
InChIInChI=1S/C4H7NO/c1-4-2-3-5-6-4/h2-5H,1H3
InChIKeyXRUJYVWZXUFOQW-UHFFFAOYSA-N
XLogP0.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50085.11
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2,5-dihydro-1,2-oxazole?
The IUPAC name of 5-methyl-2,5-dihydro-1,2-oxazole (CID 22344530) is 5-methyl-2,5-dihydro-1,2-oxazole.
What is the SMILES notation for 5-methyl-2,5-dihydro-1,2-oxazole?
The canonical SMILES for 5-methyl-2,5-dihydro-1,2-oxazole is CC1C=CNO1.
What is the InChIKey of 5-methyl-2,5-dihydro-1,2-oxazole?
The InChIKey is XRUJYVWZXUFOQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO/c1-4-2-3-5-6-4/h2-5H,1H3.
What are the key properties of 5-methyl-2,5-dihydro-1,2-oxazole?
5-methyl-2,5-dihydro-1,2-oxazole has a molecular weight of 85.11 g/mol, XLogP of 0.42, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2,5-dihydro-1,2-oxazole is sourced from PubChem (CID 22344530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).