5-butyl-3-tert-butyl-4,5-dihydro-1,2-oxazole

C11H21NO — CID 13296100

IUPAC5-butyl-3-tert-butyl-4,5-dihydro-1,2-oxazole
SMILESCCCCC1CC(C(C)(C)C)=NO1
InChIInChI=1S/C11H21NO/c1-5-6-7-9-8-10(12-13-9)11(2,3)4/h9H,5-8H2,1-4H3
InChIKeyWWMACDJQVZELTD-UHFFFAOYSA-N
MW183.29 g/mol
LogP3.37
Rot. Bonds3

About 5-butyl-3-tert-butyl-4,5-dihydro-1,2-oxazole

5-butyl-3-tert-butyl-4,5-dihydro-1,2-oxazole (PubChem CID 13296100) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 5-butyl-3-tert-butyl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-butyl-3-tert-butyl-4,5-dihydro-1,2-oxazole
PubChem CID13296100
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name5-butyl-3-tert-butyl-4,5-dihydro-1,2-oxazole
SMILESCCCCC1CC(C(C)(C)C)=NO1
InChIInChI=1S/C11H21NO/c1-5-6-7-9-8-10(12-13-9)11(2,3)4/h9H,5-8H2,1-4H3
InChIKeyWWMACDJQVZELTD-UHFFFAOYSA-N
XLogP3.37
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-3-tert-butyl-4,5-dihydro-1,2-oxazole?
The IUPAC name of 5-butyl-3-tert-butyl-4,5-dihydro-1,2-oxazole (CID 13296100) is 5-butyl-3-tert-butyl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 5-butyl-3-tert-butyl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 5-butyl-3-tert-butyl-4,5-dihydro-1,2-oxazole is CCCCC1CC(C(C)(C)C)=NO1.
What is the InChIKey of 5-butyl-3-tert-butyl-4,5-dihydro-1,2-oxazole?
The InChIKey is WWMACDJQVZELTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-5-6-7-9-8-10(12-13-9)11(2,3)4/h9H,5-8H2,1-4H3.
What are the key properties of 5-butyl-3-tert-butyl-4,5-dihydro-1,2-oxazole?
5-butyl-3-tert-butyl-4,5-dihydro-1,2-oxazole has a molecular weight of 183.29 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-3-tert-butyl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 13296100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).