1-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methyl-4-prop-2-enylfuran-3-yl]ethanone

C15H19NO3 — CID 640343

IUPAC1-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methyl-4-prop-2-enylfuran-3-yl]ethanone
SMILESC=CCc1c(C2=NC(C)(C)CO2)oc(C)c1C(C)=O
InChIInChI=1S/C15H19NO3/c1-6-7-11-12(9(2)17)10(3)19-13(11)14-16-15(4,5)8-18-14/h6H,1,7-8H2,2-5H3
InChIKeySYEHMHRDVNDJKK-UHFFFAOYSA-N
MW261.32 g/mol
LogP3.07
Rot. Bonds4

About 1-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methyl-4-prop-2-enylfuran-3-yl]ethanone

1-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methyl-4-prop-2-enylfuran-3-yl]ethanone (PubChem CID 640343) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methyl-4-prop-2-enylfuran-3-yl]ethanone.

Molecular Properties

Compound Name1-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methyl-4-prop-2-enylfuran-3-yl]ethanone
PubChem CID640343
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name1-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methyl-4-prop-2-enylfuran-3-yl]ethanone
SMILESC=CCc1c(C2=NC(C)(C)CO2)oc(C)c1C(C)=O
InChIInChI=1S/C15H19NO3/c1-6-7-11-12(9(2)17)10(3)19-13(11)14-16-15(4,5)8-18-14/h6H,1,7-8H2,2-5H3
InChIKeySYEHMHRDVNDJKK-UHFFFAOYSA-N
XLogP3.07
TPSA51.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 1-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methyl-4-prop-2-enylfuran-3-yl]ethanone?
The IUPAC name of 1-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methyl-4-prop-2-enylfuran-3-yl]ethanone (CID 640343) is 1-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methyl-4-prop-2-enylfuran-3-yl]ethanone.
What is the SMILES notation for 1-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methyl-4-prop-2-enylfuran-3-yl]ethanone?
The canonical SMILES for 1-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methyl-4-prop-2-enylfuran-3-yl]ethanone is C=CCc1c(C2=NC(C)(C)CO2)oc(C)c1C(C)=O.
What is the InChIKey of 1-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methyl-4-prop-2-enylfuran-3-yl]ethanone?
The InChIKey is SYEHMHRDVNDJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-6-7-11-12(9(2)17)10(3)19-13(11)14-16-15(4,5)8-18-14/h6H,1,7-8H2,2-5H3.
What are the key properties of 1-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methyl-4-prop-2-enylfuran-3-yl]ethanone?
1-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methyl-4-prop-2-enylfuran-3-yl]ethanone has a molecular weight of 261.32 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methyl-4-prop-2-enylfuran-3-yl]ethanone is sourced from PubChem (CID 640343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).