2-(3,3-dimethylbutyl)-4,4-dimethyl-5H-1,3-oxazole

C11H21NO — CID 11423966

IUPAC2-(3,3-dimethylbutyl)-4,4-dimethyl-5H-1,3-oxazole
SMILESCC(C)(C)CCC1=NC(C)(C)CO1
InChIInChI=1S/C11H21NO/c1-10(2,3)7-6-9-12-11(4,5)8-13-9/h6-8H2,1-5H3
InChIKeyAERJYYFFWXVMMO-UHFFFAOYSA-N
MW183.29 g/mol
LogP3.02
Rot. Bonds2

About 2-(3,3-dimethylbutyl)-4,4-dimethyl-5H-1,3-oxazole

2-(3,3-dimethylbutyl)-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 11423966) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 2-(3,3-dimethylbutyl)-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-(3,3-dimethylbutyl)-4,4-dimethyl-5H-1,3-oxazole
PubChem CID11423966
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name2-(3,3-dimethylbutyl)-4,4-dimethyl-5H-1,3-oxazole
SMILESCC(C)(C)CCC1=NC(C)(C)CO1
InChIInChI=1S/C11H21NO/c1-10(2,3)7-6-9-12-11(4,5)8-13-9/h6-8H2,1-5H3
InChIKeyAERJYYFFWXVMMO-UHFFFAOYSA-N
XLogP3.02
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylbutyl)-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 2-(3,3-dimethylbutyl)-4,4-dimethyl-5H-1,3-oxazole (CID 11423966) is 2-(3,3-dimethylbutyl)-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-(3,3-dimethylbutyl)-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2-(3,3-dimethylbutyl)-4,4-dimethyl-5H-1,3-oxazole is CC(C)(C)CCC1=NC(C)(C)CO1.
What is the InChIKey of 2-(3,3-dimethylbutyl)-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is AERJYYFFWXVMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-10(2,3)7-6-9-12-11(4,5)8-13-9/h6-8H2,1-5H3.
What are the key properties of 2-(3,3-dimethylbutyl)-4,4-dimethyl-5H-1,3-oxazole?
2-(3,3-dimethylbutyl)-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 183.29 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylbutyl)-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 11423966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).