3-methyl-4,5-dihydro-1,2-oxazole

C4H7NO — CID 12959090

IUPAC3-methyl-4,5-dihydro-1,2-oxazole
SMILESCC1=NOCC1
InChIInChI=1S/C4H7NO/c1-4-2-3-6-5-4/h2-3H2,1H3
InChIKeyJHCKZGSCVJRFHY-UHFFFAOYSA-N
MW85.11 g/mol
LogP0.78
Rot. Bonds

About 3-methyl-4,5-dihydro-1,2-oxazole

3-methyl-4,5-dihydro-1,2-oxazole (PubChem CID 12959090) has the molecular formula C4H7NO and a molecular weight of 85.11 g/mol. Its IUPAC name is 3-methyl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-methyl-4,5-dihydro-1,2-oxazole
PubChem CID12959090
Molecular FormulaC4H7NO
Molecular Weight85.11 g/mol
Exact Mass85.05
IUPAC Name3-methyl-4,5-dihydro-1,2-oxazole
SMILESCC1=NOCC1
InChIInChI=1S/C4H7NO/c1-4-2-3-6-5-4/h2-3H2,1H3
InChIKeyJHCKZGSCVJRFHY-UHFFFAOYSA-N
XLogP0.78
TPSA21.59 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 ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4,5-dihydro-1,2-oxazole?
The IUPAC name of 3-methyl-4,5-dihydro-1,2-oxazole (CID 12959090) is 3-methyl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-methyl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-methyl-4,5-dihydro-1,2-oxazole is CC1=NOCC1.
What is the InChIKey of 3-methyl-4,5-dihydro-1,2-oxazole?
The InChIKey is JHCKZGSCVJRFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO/c1-4-2-3-6-5-4/h2-3H2,1H3.
What are the key properties of 3-methyl-4,5-dihydro-1,2-oxazole?
3-methyl-4,5-dihydro-1,2-oxazole has a molecular weight of 85.11 g/mol, XLogP of 0.78, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 12959090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).