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

C14H21NO2 — CID 640342

IUPAC2-(4-tert-butyl-5-methylfuran-2-yl)-4,4-dimethyl-5H-1,3-oxazole
SMILESCc1oc(C2=NC(C)(C)CO2)cc1C(C)(C)C
InChIInChI=1S/C14H21NO2/c1-9-10(13(2,3)4)7-11(17-9)12-15-14(5,6)8-16-12/h7H,8H2,1-6H3
InChIKeyFHUCMXDGYUOVCZ-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.44
Rot. Bonds1

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

2-(4-tert-butyl-5-methylfuran-2-yl)-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 640342) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-(4-tert-butyl-5-methylfuran-2-yl)-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-(4-tert-butyl-5-methylfuran-2-yl)-4,4-dimethyl-5H-1,3-oxazole
PubChem CID640342
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-(4-tert-butyl-5-methylfuran-2-yl)-4,4-dimethyl-5H-1,3-oxazole
SMILESCc1oc(C2=NC(C)(C)CO2)cc1C(C)(C)C
InChIInChI=1S/C14H21NO2/c1-9-10(13(2,3)4)7-11(17-9)12-15-14(5,6)8-16-12/h7H,8H2,1-6H3
InChIKeyFHUCMXDGYUOVCZ-UHFFFAOYSA-N
XLogP3.44
TPSA34.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-5-methylfuran-2-yl)-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 2-(4-tert-butyl-5-methylfuran-2-yl)-4,4-dimethyl-5H-1,3-oxazole (CID 640342) is 2-(4-tert-butyl-5-methylfuran-2-yl)-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-(4-tert-butyl-5-methylfuran-2-yl)-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2-(4-tert-butyl-5-methylfuran-2-yl)-4,4-dimethyl-5H-1,3-oxazole is Cc1oc(C2=NC(C)(C)CO2)cc1C(C)(C)C.
What is the InChIKey of 2-(4-tert-butyl-5-methylfuran-2-yl)-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is FHUCMXDGYUOVCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-9-10(13(2,3)4)7-11(17-9)12-15-14(5,6)8-16-12/h7H,8H2,1-6H3.
What are the key properties of 2-(4-tert-butyl-5-methylfuran-2-yl)-4,4-dimethyl-5H-1,3-oxazole?
2-(4-tert-butyl-5-methylfuran-2-yl)-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 235.33 g/mol, XLogP of 3.44, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-5-methylfuran-2-yl)-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 640342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).