2-tert-butyl-5-(oxolan-2-yl)-1,3-oxazole

C11H17NO2 — CID 167415981

IUPAC2-tert-butyl-5-(oxolan-2-yl)-1,3-oxazole
SMILESCC(C)(C)c1ncc(C2CCCO2)o1
InChIInChI=1S/C11H17NO2/c1-11(2,3)10-12-7-9(14-10)8-5-4-6-13-8/h7-8H,4-6H2,1-3H3
InChIKeyOAEQNPBOCUWXPB-UHFFFAOYSA-N
MW195.26 g/mol
LogP2.82
Rot. Bonds1

About 2-tert-butyl-5-(oxolan-2-yl)-1,3-oxazole

2-tert-butyl-5-(oxolan-2-yl)-1,3-oxazole (PubChem CID 167415981) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 2-tert-butyl-5-(oxolan-2-yl)-1,3-oxazole.

Molecular Properties

Compound Name2-tert-butyl-5-(oxolan-2-yl)-1,3-oxazole
PubChem CID167415981
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name2-tert-butyl-5-(oxolan-2-yl)-1,3-oxazole
SMILESCC(C)(C)c1ncc(C2CCCO2)o1
InChIInChI=1S/C11H17NO2/c1-11(2,3)10-12-7-9(14-10)8-5-4-6-13-8/h7-8H,4-6H2,1-3H3
InChIKeyOAEQNPBOCUWXPB-UHFFFAOYSA-N
XLogP2.82
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-(oxolan-2-yl)-1,3-oxazole?
The IUPAC name of 2-tert-butyl-5-(oxolan-2-yl)-1,3-oxazole (CID 167415981) is 2-tert-butyl-5-(oxolan-2-yl)-1,3-oxazole.
What is the SMILES notation for 2-tert-butyl-5-(oxolan-2-yl)-1,3-oxazole?
The canonical SMILES for 2-tert-butyl-5-(oxolan-2-yl)-1,3-oxazole is CC(C)(C)c1ncc(C2CCCO2)o1.
What is the InChIKey of 2-tert-butyl-5-(oxolan-2-yl)-1,3-oxazole?
The InChIKey is OAEQNPBOCUWXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-11(2,3)10-12-7-9(14-10)8-5-4-6-13-8/h7-8H,4-6H2,1-3H3.
What are the key properties of 2-tert-butyl-5-(oxolan-2-yl)-1,3-oxazole?
2-tert-butyl-5-(oxolan-2-yl)-1,3-oxazole has a molecular weight of 195.26 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-(oxolan-2-yl)-1,3-oxazole is sourced from PubChem (CID 167415981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).