2-tert-butyl-4-(1-fluorobutyl)-1,3-oxazole

C11H18FNO — CID 177343457

IUPAC2-tert-butyl-4-(1-fluorobutyl)-1,3-oxazole
SMILESCCCC(F)c1coc(C(C)(C)C)n1
InChIInChI=1S/C11H18FNO/c1-5-6-8(12)9-7-14-10(13-9)11(2,3)4/h7-8H,5-6H2,1-4H3
InChIKeyJIBWEABLYXEXKX-UHFFFAOYSA-N
MW199.27 g/mol
LogP3.78
Rot. Bonds3

About 2-tert-butyl-4-(1-fluorobutyl)-1,3-oxazole

2-tert-butyl-4-(1-fluorobutyl)-1,3-oxazole (PubChem CID 177343457) has the molecular formula C11H18FNO and a molecular weight of 199.27 g/mol. Its IUPAC name is 2-tert-butyl-4-(1-fluorobutyl)-1,3-oxazole.

Molecular Properties

Compound Name2-tert-butyl-4-(1-fluorobutyl)-1,3-oxazole
PubChem CID177343457
Molecular FormulaC11H18FNO
Molecular Weight199.27 g/mol
Exact Mass199.14
IUPAC Name2-tert-butyl-4-(1-fluorobutyl)-1,3-oxazole
SMILESCCCC(F)c1coc(C(C)(C)C)n1
InChIInChI=1S/C11H18FNO/c1-5-6-8(12)9-7-14-10(13-9)11(2,3)4/h7-8H,5-6H2,1-4H3
InChIKeyJIBWEABLYXEXKX-UHFFFAOYSA-N
XLogP3.78
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-(1-fluorobutyl)-1,3-oxazole?
The IUPAC name of 2-tert-butyl-4-(1-fluorobutyl)-1,3-oxazole (CID 177343457) is 2-tert-butyl-4-(1-fluorobutyl)-1,3-oxazole.
What is the SMILES notation for 2-tert-butyl-4-(1-fluorobutyl)-1,3-oxazole?
The canonical SMILES for 2-tert-butyl-4-(1-fluorobutyl)-1,3-oxazole is CCCC(F)c1coc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-4-(1-fluorobutyl)-1,3-oxazole?
The InChIKey is JIBWEABLYXEXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FNO/c1-5-6-8(12)9-7-14-10(13-9)11(2,3)4/h7-8H,5-6H2,1-4H3.
What are the key properties of 2-tert-butyl-4-(1-fluorobutyl)-1,3-oxazole?
2-tert-butyl-4-(1-fluorobutyl)-1,3-oxazole has a molecular weight of 199.27 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-(1-fluorobutyl)-1,3-oxazole is sourced from PubChem (CID 177343457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).