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

C9H16NO- — CID 59437155

IUPAC5,5-dimethyl-3-(2-methylpropyl)-4H-1,2-oxazole
SMILESC[C-](C)CC1=NOC(C)(C)C1
InChIInChI=1S/C9H16NO/c1-7(2)5-8-6-9(3,4)11-10-8/h5-6H2,1-4H3/q-1
InChIKeyOLCRHELPMMPGBT-UHFFFAOYSA-N
MW154.23 g/mol
LogP2.55
Rot. Bonds2

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

5,5-dimethyl-3-(2-methylpropyl)-4H-1,2-oxazole (PubChem CID 59437155) has the molecular formula C9H16NO- and a molecular weight of 154.23 g/mol. Its IUPAC name is 5,5-dimethyl-3-(2-methylpropyl)-4H-1,2-oxazole.

Molecular Properties

Compound Name5,5-dimethyl-3-(2-methylpropyl)-4H-1,2-oxazole
PubChem CID59437155
Molecular FormulaC9H16NO-
Molecular Weight154.23 g/mol
Exact Mass154.12
IUPAC Name5,5-dimethyl-3-(2-methylpropyl)-4H-1,2-oxazole
SMILESC[C-](C)CC1=NOC(C)(C)C1
InChIInChI=1S/C9H16NO/c1-7(2)5-8-6-9(3,4)11-10-8/h5-6H2,1-4H3/q-1
InChIKeyOLCRHELPMMPGBT-UHFFFAOYSA-N
XLogP2.55
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.23
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-(2-methylpropyl)-4H-1,2-oxazole?
The IUPAC name of 5,5-dimethyl-3-(2-methylpropyl)-4H-1,2-oxazole (CID 59437155) is 5,5-dimethyl-3-(2-methylpropyl)-4H-1,2-oxazole.
What is the SMILES notation for 5,5-dimethyl-3-(2-methylpropyl)-4H-1,2-oxazole?
The canonical SMILES for 5,5-dimethyl-3-(2-methylpropyl)-4H-1,2-oxazole is C[C-](C)CC1=NOC(C)(C)C1.
What is the InChIKey of 5,5-dimethyl-3-(2-methylpropyl)-4H-1,2-oxazole?
The InChIKey is OLCRHELPMMPGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16NO/c1-7(2)5-8-6-9(3,4)11-10-8/h5-6H2,1-4H3/q-1.
What are the key properties of 5,5-dimethyl-3-(2-methylpropyl)-4H-1,2-oxazole?
5,5-dimethyl-3-(2-methylpropyl)-4H-1,2-oxazole has a molecular weight of 154.23 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-(2-methylpropyl)-4H-1,2-oxazole is sourced from PubChem (CID 59437155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).