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

C11H15NO2 — CID 10352590

IUPAC2-(3,5-dimethylfuran-2-yl)-4,4-dimethyl-5H-1,3-oxazole
SMILESCc1cc(C)c(C2=NC(C)(C)CO2)o1
InChIInChI=1S/C11H15NO2/c1-7-5-8(2)14-9(7)10-12-11(3,4)6-13-10/h5H,6H2,1-4H3
InChIKeyXGQIWAQOKWKYBT-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.45
Rot. Bonds1

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

2-(3,5-dimethylfuran-2-yl)-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 10352590) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-(3,5-dimethylfuran-2-yl)-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-(3,5-dimethylfuran-2-yl)-4,4-dimethyl-5H-1,3-oxazole
PubChem CID10352590
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name2-(3,5-dimethylfuran-2-yl)-4,4-dimethyl-5H-1,3-oxazole
SMILESCc1cc(C)c(C2=NC(C)(C)CO2)o1
InChIInChI=1S/C11H15NO2/c1-7-5-8(2)14-9(7)10-12-11(3,4)6-13-10/h5H,6H2,1-4H3
InChIKeyXGQIWAQOKWKYBT-UHFFFAOYSA-N
XLogP2.45
TPSA34.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,4-Dimethyl-2-(5-methylfuran-2-yl)-4,5-dihydro-1,3-oxazole
CID 14931720
2-(5-Bromofuran-2-yl)-4,4-dimethyl-4,5-dihydro-1,3-oxazole
CID 54551428
Oxazole, 2-(2-furanyl)-4,5-dihydro-4,4-dimethyl-
CID 3849090
2-(2-Furanyl)-4-(phenylmethylene)-5(4H)-oxazolone
CID 2839403
2-(Furan-2-yl)-4-methoxy-4,5-dihydro-1,3-oxazole
CID 134860463
2-(furan-2-yl)-4-(2-methylpropyl)-4H-1,3-oxazol-5-one
CID 166446144
Oxazole, 2-(4-bromo-5-methyl-2-furanyl)-4,5-dihydro-4,4-dimethyl-
CID 640339
Oxazole, 2-(4,5-dimethyl-2-furanyl)-4,5-dihydro-4,4-dimethyl-
CID 640340
Ethanone, 1-[5-(4,5-dihydro-4,4-dimethyl-2-oxazolyl)-2,4-dimethyl-3-furanyl]-
CID 640341
2-(4-Tert-butyl-5-methyl-2-furyl)-4,4-dimethyl-4,5-dihydro-1,3-oxazole
CID 640342
1-[4-Allyl-5-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)-2-methyl-3-furyl]ethanone
CID 640343
2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-5-methylfuran-3-carboxylic acid
CID 5324827

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylfuran-2-yl)-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 2-(3,5-dimethylfuran-2-yl)-4,4-dimethyl-5H-1,3-oxazole (CID 10352590) is 2-(3,5-dimethylfuran-2-yl)-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-(3,5-dimethylfuran-2-yl)-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2-(3,5-dimethylfuran-2-yl)-4,4-dimethyl-5H-1,3-oxazole is Cc1cc(C)c(C2=NC(C)(C)CO2)o1.
What is the InChIKey of 2-(3,5-dimethylfuran-2-yl)-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is XGQIWAQOKWKYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-7-5-8(2)14-9(7)10-12-11(3,4)6-13-10/h5H,6H2,1-4H3.
What are the key properties of 2-(3,5-dimethylfuran-2-yl)-4,4-dimethyl-5H-1,3-oxazole?
2-(3,5-dimethylfuran-2-yl)-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 193.25 g/mol, XLogP of 2.45, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylfuran-2-yl)-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 10352590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).