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

C9H11NO2 — CID 3849090

IUPAC2-(furan-2-yl)-4,4-dimethyl-5H-1,3-oxazole
SMILESCC1(C)COC(c2ccco2)=N1
InChIInChI=1S/C9H11NO2/c1-9(2)6-12-8(10-9)7-4-3-5-11-7/h3-5H,6H2,1-2H3
InChIKeyXYEWHLMAKXTZER-UHFFFAOYSA-N
MW165.19 g/mol
LogP1.84
Rot. Bonds1

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

2-(furan-2-yl)-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 3849090) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 2-(furan-2-yl)-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-(furan-2-yl)-4,4-dimethyl-5H-1,3-oxazole
PubChem CID3849090
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name2-(furan-2-yl)-4,4-dimethyl-5H-1,3-oxazole
SMILESCC1(C)COC(c2ccco2)=N1
InChIInChI=1S/C9H11NO2/c1-9(2)6-12-8(10-9)7-4-3-5-11-7/h3-5H,6H2,1-2H3
InChIKeyXYEWHLMAKXTZER-UHFFFAOYSA-N
XLogP1.84
TPSA34.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 2-(furan-2-yl)-4,4-dimethyl-5H-1,3-oxazole (CID 3849090) is 2-(furan-2-yl)-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-(furan-2-yl)-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2-(furan-2-yl)-4,4-dimethyl-5H-1,3-oxazole is CC1(C)COC(c2ccco2)=N1.
What is the InChIKey of 2-(furan-2-yl)-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is XYEWHLMAKXTZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-9(2)6-12-8(10-9)7-4-3-5-11-7/h3-5H,6H2,1-2H3.
What are the key properties of 2-(furan-2-yl)-4,4-dimethyl-5H-1,3-oxazole?
2-(furan-2-yl)-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 165.19 g/mol, XLogP of 1.84, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 3849090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).