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

C4H7NO — CID 56621814

IUPAC4-methyl-2,5-dihydro-1,2-oxazole
SMILESCC1=CNOC1
InChIInChI=1S/C4H7NO/c1-4-2-5-6-3-4/h2,5H,3H2,1H3
InChIKeyORSISHVLMUALGM-UHFFFAOYSA-N
MW85.11 g/mol
LogP0.43
Rot. Bonds

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

4-methyl-2,5-dihydro-1,2-oxazole (PubChem CID 56621814) has the molecular formula C4H7NO and a molecular weight of 85.11 g/mol. Its IUPAC name is 4-methyl-2,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name4-methyl-2,5-dihydro-1,2-oxazole
PubChem CID56621814
Molecular FormulaC4H7NO
Molecular Weight85.11 g/mol
Exact Mass85.05
IUPAC Name4-methyl-2,5-dihydro-1,2-oxazole
SMILESCC1=CNOC1
InChIInChI=1S/C4H7NO/c1-4-2-5-6-3-4/h2,5H,3H2,1H3
InChIKeyORSISHVLMUALGM-UHFFFAOYSA-N
XLogP0.43
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 ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2,5-dihydro-1,2-oxazole?
The IUPAC name of 4-methyl-2,5-dihydro-1,2-oxazole (CID 56621814) is 4-methyl-2,5-dihydro-1,2-oxazole.
What is the SMILES notation for 4-methyl-2,5-dihydro-1,2-oxazole?
The canonical SMILES for 4-methyl-2,5-dihydro-1,2-oxazole is CC1=CNOC1.
What is the InChIKey of 4-methyl-2,5-dihydro-1,2-oxazole?
The InChIKey is ORSISHVLMUALGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO/c1-4-2-5-6-3-4/h2,5H,3H2,1H3.
What are the key properties of 4-methyl-2,5-dihydro-1,2-oxazole?
4-methyl-2,5-dihydro-1,2-oxazole has a molecular weight of 85.11 g/mol, XLogP of 0.43, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2,5-dihydro-1,2-oxazole is sourced from PubChem (CID 56621814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).