3-(2,2-dimethylbutyl)-5-methyl-1,2-oxazole

C10H17NO — CID 155129451

IUPAC3-(2,2-dimethylbutyl)-5-methyl-1,2-oxazole
SMILESCCC(C)(C)Cc1cc(C)on1
InChIInChI=1S/C10H17NO/c1-5-10(3,4)7-9-6-8(2)12-11-9/h6H,5,7H2,1-4H3
InChIKeyRMKWLLLCSQYMGJ-UHFFFAOYSA-N
MW167.25 g/mol
LogP2.96
Rot. Bonds3

About 3-(2,2-dimethylbutyl)-5-methyl-1,2-oxazole

3-(2,2-dimethylbutyl)-5-methyl-1,2-oxazole (PubChem CID 155129451) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 3-(2,2-dimethylbutyl)-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-(2,2-dimethylbutyl)-5-methyl-1,2-oxazole
PubChem CID155129451
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name3-(2,2-dimethylbutyl)-5-methyl-1,2-oxazole
SMILESCCC(C)(C)Cc1cc(C)on1
InChIInChI=1S/C10H17NO/c1-5-10(3,4)7-9-6-8(2)12-11-9/h6H,5,7H2,1-4H3
InChIKeyRMKWLLLCSQYMGJ-UHFFFAOYSA-N
XLogP2.96
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylbutyl)-5-methyl-1,2-oxazole?
The IUPAC name of 3-(2,2-dimethylbutyl)-5-methyl-1,2-oxazole (CID 155129451) is 3-(2,2-dimethylbutyl)-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-(2,2-dimethylbutyl)-5-methyl-1,2-oxazole?
The canonical SMILES for 3-(2,2-dimethylbutyl)-5-methyl-1,2-oxazole is CCC(C)(C)Cc1cc(C)on1.
What is the InChIKey of 3-(2,2-dimethylbutyl)-5-methyl-1,2-oxazole?
The InChIKey is RMKWLLLCSQYMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-5-10(3,4)7-9-6-8(2)12-11-9/h6H,5,7H2,1-4H3.
What are the key properties of 3-(2,2-dimethylbutyl)-5-methyl-1,2-oxazole?
3-(2,2-dimethylbutyl)-5-methyl-1,2-oxazole has a molecular weight of 167.25 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylbutyl)-5-methyl-1,2-oxazole is sourced from PubChem (CID 155129451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).