4,5-dihydro-1,3-oxazole;2,6-dimethylphenol

C11H15NO2 — CID 67925703

IUPAC4,5-dihydro-1,3-oxazole;2,6-dimethylphenol
SMILESC1=NCCO1.Cc1cccc(C)c1O
InChIInChI=1S/C8H10O.C3H5NO/c1-6-4-3-5-7(2)8(6)9;1-2-5-3-4-1/h3-5,9H,1-2H3;3H,1-2H2
InChIKeyBSGJXOCZVQOLLM-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.05
Rot. Bonds

About 4,5-dihydro-1,3-oxazole;2,6-dimethylphenol

4,5-dihydro-1,3-oxazole;2,6-dimethylphenol (PubChem CID 67925703) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 4,5-dihydro-1,3-oxazole;2,6-dimethylphenol.

Molecular Properties

Compound Name4,5-dihydro-1,3-oxazole;2,6-dimethylphenol
PubChem CID67925703
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name4,5-dihydro-1,3-oxazole;2,6-dimethylphenol
SMILESC1=NCCO1.Cc1cccc(C)c1O
InChIInChI=1S/C8H10O.C3H5NO/c1-6-4-3-5-7(2)8(6)9;1-2-5-3-4-1/h3-5,9H,1-2H3;3H,1-2H2
InChIKeyBSGJXOCZVQOLLM-UHFFFAOYSA-N
XLogP2.05
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dihydro-1,3-oxazole;2,6-dimethylphenol?
The IUPAC name of 4,5-dihydro-1,3-oxazole;2,6-dimethylphenol (CID 67925703) is 4,5-dihydro-1,3-oxazole;2,6-dimethylphenol.
What is the SMILES notation for 4,5-dihydro-1,3-oxazole;2,6-dimethylphenol?
The canonical SMILES for 4,5-dihydro-1,3-oxazole;2,6-dimethylphenol is C1=NCCO1.Cc1cccc(C)c1O.
What is the InChIKey of 4,5-dihydro-1,3-oxazole;2,6-dimethylphenol?
The InChIKey is BSGJXOCZVQOLLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O.C3H5NO/c1-6-4-3-5-7(2)8(6)9;1-2-5-3-4-1/h3-5,9H,1-2H3;3H,1-2H2.
What are the key properties of 4,5-dihydro-1,3-oxazole;2,6-dimethylphenol?
4,5-dihydro-1,3-oxazole;2,6-dimethylphenol has a molecular weight of 193.25 g/mol, XLogP of 2.05, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydro-1,3-oxazole;2,6-dimethylphenol is sourced from PubChem (CID 67925703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).