4,4-dimethyl-2-(5-methyl-3-prop-2-enylfuran-2-yl)-5H-1,3-oxazole

C13H17NO2 — CID 14973105

IUPAC4,4-dimethyl-2-(5-methyl-3-prop-2-enylfuran-2-yl)-5H-1,3-oxazole
SMILESC=CCc1cc(C)oc1C1=NC(C)(C)CO1
InChIInChI=1S/C13H17NO2/c1-5-6-10-7-9(2)16-11(10)12-14-13(3,4)8-15-12/h5,7H,1,6,8H2,2-4H3
InChIKeyLPBGBLLLMPGYQJ-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.87
Rot. Bonds3

About 4,4-dimethyl-2-(5-methyl-3-prop-2-enylfuran-2-yl)-5H-1,3-oxazole

4,4-dimethyl-2-(5-methyl-3-prop-2-enylfuran-2-yl)-5H-1,3-oxazole (PubChem CID 14973105) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 4,4-dimethyl-2-(5-methyl-3-prop-2-enylfuran-2-yl)-5H-1,3-oxazole.

Molecular Properties

Compound Name4,4-dimethyl-2-(5-methyl-3-prop-2-enylfuran-2-yl)-5H-1,3-oxazole
PubChem CID14973105
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name4,4-dimethyl-2-(5-methyl-3-prop-2-enylfuran-2-yl)-5H-1,3-oxazole
SMILESC=CCc1cc(C)oc1C1=NC(C)(C)CO1
InChIInChI=1S/C13H17NO2/c1-5-6-10-7-9(2)16-11(10)12-14-13(3,4)8-15-12/h5,7H,1,6,8H2,2-4H3
InChIKeyLPBGBLLLMPGYQJ-UHFFFAOYSA-N
XLogP2.87
TPSA34.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-(5-methyl-3-prop-2-enylfuran-2-yl)-5H-1,3-oxazole?
The IUPAC name of 4,4-dimethyl-2-(5-methyl-3-prop-2-enylfuran-2-yl)-5H-1,3-oxazole (CID 14973105) is 4,4-dimethyl-2-(5-methyl-3-prop-2-enylfuran-2-yl)-5H-1,3-oxazole.
What is the SMILES notation for 4,4-dimethyl-2-(5-methyl-3-prop-2-enylfuran-2-yl)-5H-1,3-oxazole?
The canonical SMILES for 4,4-dimethyl-2-(5-methyl-3-prop-2-enylfuran-2-yl)-5H-1,3-oxazole is C=CCc1cc(C)oc1C1=NC(C)(C)CO1.
What is the InChIKey of 4,4-dimethyl-2-(5-methyl-3-prop-2-enylfuran-2-yl)-5H-1,3-oxazole?
The InChIKey is LPBGBLLLMPGYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-5-6-10-7-9(2)16-11(10)12-14-13(3,4)8-15-12/h5,7H,1,6,8H2,2-4H3.
What are the key properties of 4,4-dimethyl-2-(5-methyl-3-prop-2-enylfuran-2-yl)-5H-1,3-oxazole?
4,4-dimethyl-2-(5-methyl-3-prop-2-enylfuran-2-yl)-5H-1,3-oxazole has a molecular weight of 219.28 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-(5-methyl-3-prop-2-enylfuran-2-yl)-5H-1,3-oxazole is sourced from PubChem (CID 14973105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).