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

C13H19NO2 — CID 11775907

IUPAC4,4-dimethyl-2-[5-(2-methylpropyl)furan-2-yl]-5H-1,3-oxazole
SMILESCC(C)Cc1ccc(C2=NC(C)(C)CO2)o1
InChIInChI=1S/C13H19NO2/c1-9(2)7-10-5-6-11(16-10)12-14-13(3,4)8-15-12/h5-6,9H,7-8H2,1-4H3
InChIKeyYKJVBXOKEBUNDZ-UHFFFAOYSA-N
MW221.30 g/mol
LogP3.03
Rot. Bonds3

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

4,4-dimethyl-2-[5-(2-methylpropyl)furan-2-yl]-5H-1,3-oxazole (PubChem CID 11775907) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 4,4-dimethyl-2-[5-(2-methylpropyl)furan-2-yl]-5H-1,3-oxazole.

Molecular Properties

Compound Name4,4-dimethyl-2-[5-(2-methylpropyl)furan-2-yl]-5H-1,3-oxazole
PubChem CID11775907
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name4,4-dimethyl-2-[5-(2-methylpropyl)furan-2-yl]-5H-1,3-oxazole
SMILESCC(C)Cc1ccc(C2=NC(C)(C)CO2)o1
InChIInChI=1S/C13H19NO2/c1-9(2)7-10-5-6-11(16-10)12-14-13(3,4)8-15-12/h5-6,9H,7-8H2,1-4H3
InChIKeyYKJVBXOKEBUNDZ-UHFFFAOYSA-N
XLogP3.03
TPSA34.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-[5-(2-methylpropyl)furan-2-yl]-5H-1,3-oxazole?
The IUPAC name of 4,4-dimethyl-2-[5-(2-methylpropyl)furan-2-yl]-5H-1,3-oxazole (CID 11775907) is 4,4-dimethyl-2-[5-(2-methylpropyl)furan-2-yl]-5H-1,3-oxazole.
What is the SMILES notation for 4,4-dimethyl-2-[5-(2-methylpropyl)furan-2-yl]-5H-1,3-oxazole?
The canonical SMILES for 4,4-dimethyl-2-[5-(2-methylpropyl)furan-2-yl]-5H-1,3-oxazole is CC(C)Cc1ccc(C2=NC(C)(C)CO2)o1.
What is the InChIKey of 4,4-dimethyl-2-[5-(2-methylpropyl)furan-2-yl]-5H-1,3-oxazole?
The InChIKey is YKJVBXOKEBUNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-9(2)7-10-5-6-11(16-10)12-14-13(3,4)8-15-12/h5-6,9H,7-8H2,1-4H3.
What are the key properties of 4,4-dimethyl-2-[5-(2-methylpropyl)furan-2-yl]-5H-1,3-oxazole?
4,4-dimethyl-2-[5-(2-methylpropyl)furan-2-yl]-5H-1,3-oxazole has a molecular weight of 221.30 g/mol, XLogP of 3.03, 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-(2-methylpropyl)furan-2-yl]-5H-1,3-oxazole is sourced from PubChem (CID 11775907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).