3,5-dimethyl-4-(3-methylpentan-3-yl)-1,2-oxazole

C11H19NO — CID 129201550

IUPAC3,5-dimethyl-4-(3-methylpentan-3-yl)-1,2-oxazole
SMILESCCC(C)(CC)c1c(C)noc1C
InChIInChI=1S/C11H19NO/c1-6-11(5,7-2)10-8(3)12-13-9(10)4/h6-7H2,1-5H3
InChIKeyYSTNMJXUCADKFU-UHFFFAOYSA-N
MW181.28 g/mol
LogP3.37
Rot. Bonds3

About 3,5-dimethyl-4-(3-methylpentan-3-yl)-1,2-oxazole

3,5-dimethyl-4-(3-methylpentan-3-yl)-1,2-oxazole (PubChem CID 129201550) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 3,5-dimethyl-4-(3-methylpentan-3-yl)-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-(3-methylpentan-3-yl)-1,2-oxazole
PubChem CID129201550
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name3,5-dimethyl-4-(3-methylpentan-3-yl)-1,2-oxazole
SMILESCCC(C)(CC)c1c(C)noc1C
InChIInChI=1S/C11H19NO/c1-6-11(5,7-2)10-8(3)12-13-9(10)4/h6-7H2,1-5H3
InChIKeyYSTNMJXUCADKFU-UHFFFAOYSA-N
XLogP3.37
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-(3-methylpentan-3-yl)-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-(3-methylpentan-3-yl)-1,2-oxazole (CID 129201550) is 3,5-dimethyl-4-(3-methylpentan-3-yl)-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-(3-methylpentan-3-yl)-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-(3-methylpentan-3-yl)-1,2-oxazole is CCC(C)(CC)c1c(C)noc1C.
What is the InChIKey of 3,5-dimethyl-4-(3-methylpentan-3-yl)-1,2-oxazole?
The InChIKey is YSTNMJXUCADKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-6-11(5,7-2)10-8(3)12-13-9(10)4/h6-7H2,1-5H3.
What are the key properties of 3,5-dimethyl-4-(3-methylpentan-3-yl)-1,2-oxazole?
3,5-dimethyl-4-(3-methylpentan-3-yl)-1,2-oxazole has a molecular weight of 181.28 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 3,5-dimethyl-4-(3-methylpentan-3-yl)-1,2-oxazole is sourced from PubChem (CID 129201550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).