4,5-dimethyl-2,5-dihydro-1,2-oxazole

C5H9NO — CID 21059269

IUPAC4,5-dimethyl-2,5-dihydro-1,2-oxazole
SMILESCC1=CNOC1C
InChIInChI=1S/C5H9NO/c1-4-3-6-7-5(4)2/h3,5-6H,1-2H3
InChIKeyDDAFDULAOIXPJJ-UHFFFAOYSA-N
MW99.13 g/mol
LogP0.81
Rot. Bonds

About 4,5-dimethyl-2,5-dihydro-1,2-oxazole

4,5-dimethyl-2,5-dihydro-1,2-oxazole (PubChem CID 21059269) has the molecular formula C5H9NO and a molecular weight of 99.13 g/mol. Its IUPAC name is 4,5-dimethyl-2,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name4,5-dimethyl-2,5-dihydro-1,2-oxazole
PubChem CID21059269
Molecular FormulaC5H9NO
Molecular Weight99.13 g/mol
Exact Mass99.07
IUPAC Name4,5-dimethyl-2,5-dihydro-1,2-oxazole
SMILESCC1=CNOC1C
InChIInChI=1S/C5H9NO/c1-4-3-6-7-5(4)2/h3,5-6H,1-2H3
InChIKeyDDAFDULAOIXPJJ-UHFFFAOYSA-N
XLogP0.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.13
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2,5-dihydro-1,2-oxazole?
The IUPAC name of 4,5-dimethyl-2,5-dihydro-1,2-oxazole (CID 21059269) is 4,5-dimethyl-2,5-dihydro-1,2-oxazole.
What is the SMILES notation for 4,5-dimethyl-2,5-dihydro-1,2-oxazole?
The canonical SMILES for 4,5-dimethyl-2,5-dihydro-1,2-oxazole is CC1=CNOC1C.
What is the InChIKey of 4,5-dimethyl-2,5-dihydro-1,2-oxazole?
The InChIKey is DDAFDULAOIXPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO/c1-4-3-6-7-5(4)2/h3,5-6H,1-2H3.
What are the key properties of 4,5-dimethyl-2,5-dihydro-1,2-oxazole?
4,5-dimethyl-2,5-dihydro-1,2-oxazole has a molecular weight of 99.13 g/mol, XLogP of 0.81, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2,5-dihydro-1,2-oxazole is sourced from PubChem (CID 21059269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).