2-tert-butyl-5-(2,2-dimethylpropyl)-1,3-oxazole

C12H21NO — CID 118391801

IUPAC2-tert-butyl-5-(2,2-dimethylpropyl)-1,3-oxazole
SMILESCC(C)(C)Cc1cnc(C(C)(C)C)o1
InChIInChI=1S/C12H21NO/c1-11(2,3)7-9-8-13-10(14-9)12(4,5)6/h8H,7H2,1-6H3
InChIKeyUKVWVEICYWNISP-UHFFFAOYSA-N
MW195.31 g/mol
LogP3.56
Rot. Bonds1

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

2-tert-butyl-5-(2,2-dimethylpropyl)-1,3-oxazole (PubChem CID 118391801) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 2-tert-butyl-5-(2,2-dimethylpropyl)-1,3-oxazole.

Molecular Properties

Compound Name2-tert-butyl-5-(2,2-dimethylpropyl)-1,3-oxazole
PubChem CID118391801
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name2-tert-butyl-5-(2,2-dimethylpropyl)-1,3-oxazole
SMILESCC(C)(C)Cc1cnc(C(C)(C)C)o1
InChIInChI=1S/C12H21NO/c1-11(2,3)7-9-8-13-10(14-9)12(4,5)6/h8H,7H2,1-6H3
InChIKeyUKVWVEICYWNISP-UHFFFAOYSA-N
XLogP3.56
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-(2,2-dimethylpropyl)-1,3-oxazole?
The IUPAC name of 2-tert-butyl-5-(2,2-dimethylpropyl)-1,3-oxazole (CID 118391801) is 2-tert-butyl-5-(2,2-dimethylpropyl)-1,3-oxazole.
What is the SMILES notation for 2-tert-butyl-5-(2,2-dimethylpropyl)-1,3-oxazole?
The canonical SMILES for 2-tert-butyl-5-(2,2-dimethylpropyl)-1,3-oxazole is CC(C)(C)Cc1cnc(C(C)(C)C)o1.
What is the InChIKey of 2-tert-butyl-5-(2,2-dimethylpropyl)-1,3-oxazole?
The InChIKey is UKVWVEICYWNISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-11(2,3)7-9-8-13-10(14-9)12(4,5)6/h8H,7H2,1-6H3.
What are the key properties of 2-tert-butyl-5-(2,2-dimethylpropyl)-1,3-oxazole?
2-tert-butyl-5-(2,2-dimethylpropyl)-1,3-oxazole has a molecular weight of 195.31 g/mol, XLogP of 3.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-(2,2-dimethylpropyl)-1,3-oxazole is sourced from PubChem (CID 118391801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).