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

C12H21NO — CID 126698828

IUPAC3-tert-butyl-5-(2-methylbutan-2-yl)-1,2-oxazole
SMILESCCC(C)(C)c1cc(C(C)(C)C)no1
InChIInChI=1S/C12H21NO/c1-7-12(5,6)10-8-9(13-14-10)11(2,3)4/h8H,7H2,1-6H3
InChIKeyYKFYKGWYMJGHII-UHFFFAOYSA-N
MW195.31 g/mol
LogP3.66
Rot. Bonds2

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

3-tert-butyl-5-(2-methylbutan-2-yl)-1,2-oxazole (PubChem CID 126698828) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 3-tert-butyl-5-(2-methylbutan-2-yl)-1,2-oxazole.

Molecular Properties

Compound Name3-tert-butyl-5-(2-methylbutan-2-yl)-1,2-oxazole
PubChem CID126698828
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name3-tert-butyl-5-(2-methylbutan-2-yl)-1,2-oxazole
SMILESCCC(C)(C)c1cc(C(C)(C)C)no1
InChIInChI=1S/C12H21NO/c1-7-12(5,6)10-8-9(13-14-10)11(2,3)4/h8H,7H2,1-6H3
InChIKeyYKFYKGWYMJGHII-UHFFFAOYSA-N
XLogP3.66
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-(2-methylbutan-2-yl)-1,2-oxazole?
The IUPAC name of 3-tert-butyl-5-(2-methylbutan-2-yl)-1,2-oxazole (CID 126698828) is 3-tert-butyl-5-(2-methylbutan-2-yl)-1,2-oxazole.
What is the SMILES notation for 3-tert-butyl-5-(2-methylbutan-2-yl)-1,2-oxazole?
The canonical SMILES for 3-tert-butyl-5-(2-methylbutan-2-yl)-1,2-oxazole is CCC(C)(C)c1cc(C(C)(C)C)no1.
What is the InChIKey of 3-tert-butyl-5-(2-methylbutan-2-yl)-1,2-oxazole?
The InChIKey is YKFYKGWYMJGHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-7-12(5,6)10-8-9(13-14-10)11(2,3)4/h8H,7H2,1-6H3.
What are the key properties of 3-tert-butyl-5-(2-methylbutan-2-yl)-1,2-oxazole?
3-tert-butyl-5-(2-methylbutan-2-yl)-1,2-oxazole has a molecular weight of 195.31 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-(2-methylbutan-2-yl)-1,2-oxazole is sourced from PubChem (CID 126698828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).