2-(5-ethyl-3-methylfuran-2-yl)-4,4-dimethyl-5H-1,3-oxazole

C12H17NO2 — CID 10081761

IUPAC2-(5-ethyl-3-methylfuran-2-yl)-4,4-dimethyl-5H-1,3-oxazole
SMILESCCc1cc(C)c(C2=NC(C)(C)CO2)o1
InChIInChI=1S/C12H17NO2/c1-5-9-6-8(2)10(15-9)11-13-12(3,4)7-14-11/h6H,5,7H2,1-4H3
InChIKeyZQURBQHOBBYQPW-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.71
Rot. Bonds2

About 2-(5-ethyl-3-methylfuran-2-yl)-4,4-dimethyl-5H-1,3-oxazole

2-(5-ethyl-3-methylfuran-2-yl)-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 10081761) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-(5-ethyl-3-methylfuran-2-yl)-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-(5-ethyl-3-methylfuran-2-yl)-4,4-dimethyl-5H-1,3-oxazole
PubChem CID10081761
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name2-(5-ethyl-3-methylfuran-2-yl)-4,4-dimethyl-5H-1,3-oxazole
SMILESCCc1cc(C)c(C2=NC(C)(C)CO2)o1
InChIInChI=1S/C12H17NO2/c1-5-9-6-8(2)10(15-9)11-13-12(3,4)7-14-11/h6H,5,7H2,1-4H3
InChIKeyZQURBQHOBBYQPW-UHFFFAOYSA-N
XLogP2.71
TPSA34.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-3-methylfuran-2-yl)-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 2-(5-ethyl-3-methylfuran-2-yl)-4,4-dimethyl-5H-1,3-oxazole (CID 10081761) is 2-(5-ethyl-3-methylfuran-2-yl)-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-(5-ethyl-3-methylfuran-2-yl)-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2-(5-ethyl-3-methylfuran-2-yl)-4,4-dimethyl-5H-1,3-oxazole is CCc1cc(C)c(C2=NC(C)(C)CO2)o1.
What is the InChIKey of 2-(5-ethyl-3-methylfuran-2-yl)-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is ZQURBQHOBBYQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-5-9-6-8(2)10(15-9)11-13-12(3,4)7-14-11/h6H,5,7H2,1-4H3.
What are the key properties of 2-(5-ethyl-3-methylfuran-2-yl)-4,4-dimethyl-5H-1,3-oxazole?
2-(5-ethyl-3-methylfuran-2-yl)-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 207.27 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-3-methylfuran-2-yl)-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 10081761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).