2-methyl-4,5-dihydro-1,3-oxazol-4-ol

C4H7NO2 — CID 67930743

IUPAC2-methyl-4,5-dihydro-1,3-oxazol-4-ol
SMILESCC1=NC(O)CO1
InChIInChI=1S/C4H7NO2/c1-3-5-4(6)2-7-3/h4,6H,2H2,1H3
InChIKeyUERFWLIVIBHCRE-UHFFFAOYSA-N
MW101.11 g/mol
LogP-0.25
Rot. Bonds

About 2-methyl-4,5-dihydro-1,3-oxazol-4-ol

2-methyl-4,5-dihydro-1,3-oxazol-4-ol (PubChem CID 67930743) has the molecular formula C4H7NO2 and a molecular weight of 101.11 g/mol. Its IUPAC name is 2-methyl-4,5-dihydro-1,3-oxazol-4-ol.

Molecular Properties

Compound Name2-methyl-4,5-dihydro-1,3-oxazol-4-ol
PubChem CID67930743
Molecular FormulaC4H7NO2
Molecular Weight101.11 g/mol
Exact Mass101.05
IUPAC Name2-methyl-4,5-dihydro-1,3-oxazol-4-ol
SMILESCC1=NC(O)CO1
InChIInChI=1S/C4H7NO2/c1-3-5-4(6)2-7-3/h4,6H,2H2,1H3
InChIKeyUERFWLIVIBHCRE-UHFFFAOYSA-N
XLogP-0.25
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.11
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4,5-dihydro-1,3-oxazol-4-ol?
The IUPAC name of 2-methyl-4,5-dihydro-1,3-oxazol-4-ol (CID 67930743) is 2-methyl-4,5-dihydro-1,3-oxazol-4-ol.
What is the SMILES notation for 2-methyl-4,5-dihydro-1,3-oxazol-4-ol?
The canonical SMILES for 2-methyl-4,5-dihydro-1,3-oxazol-4-ol is CC1=NC(O)CO1.
What is the InChIKey of 2-methyl-4,5-dihydro-1,3-oxazol-4-ol?
The InChIKey is UERFWLIVIBHCRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO2/c1-3-5-4(6)2-7-3/h4,6H,2H2,1H3.
What are the key properties of 2-methyl-4,5-dihydro-1,3-oxazol-4-ol?
2-methyl-4,5-dihydro-1,3-oxazol-4-ol has a molecular weight of 101.11 g/mol, XLogP of -0.25, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4,5-dihydro-1,3-oxazol-4-ol is sourced from PubChem (CID 67930743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).