4-tert-butyl-2-methyl-4,5-dihydro-1,2-oxazol-2-ium

C8H16NO+ — CID 90734380

IUPAC4-tert-butyl-2-methyl-4,5-dihydro-1,2-oxazol-2-ium
SMILESC[N+]1=CC(C(C)(C)C)CO1
InChIInChI=1S/C8H16NO/c1-8(2,3)7-5-9(4)10-6-7/h5,7H,6H2,1-4H3/q+1
InChIKeyIMUZIXNMUTXVPV-UHFFFAOYSA-N
MW142.22 g/mol
LogP1.31
Rot. Bonds

About 4-tert-butyl-2-methyl-4,5-dihydro-1,2-oxazol-2-ium

4-tert-butyl-2-methyl-4,5-dihydro-1,2-oxazol-2-ium (PubChem CID 90734380) has the molecular formula C8H16NO+ and a molecular weight of 142.22 g/mol. Its IUPAC name is 4-tert-butyl-2-methyl-4,5-dihydro-1,2-oxazol-2-ium.

Molecular Properties

Compound Name4-tert-butyl-2-methyl-4,5-dihydro-1,2-oxazol-2-ium
PubChem CID90734380
Molecular FormulaC8H16NO+
Molecular Weight142.22 g/mol
Exact Mass142.12
IUPAC Name4-tert-butyl-2-methyl-4,5-dihydro-1,2-oxazol-2-ium
SMILESC[N+]1=CC(C(C)(C)C)CO1
InChIInChI=1S/C8H16NO/c1-8(2,3)7-5-9(4)10-6-7/h5,7H,6H2,1-4H3/q+1
InChIKeyIMUZIXNMUTXVPV-UHFFFAOYSA-N
XLogP1.31
TPSA12.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.22
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

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1,2-ditert-butylcyclopropane;2,3-ditert-butyloxirane
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[(1R,2R)-2-tert-butylcyclopropyl]-trimethylsilane
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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-methyl-4,5-dihydro-1,2-oxazol-2-ium?
The IUPAC name of 4-tert-butyl-2-methyl-4,5-dihydro-1,2-oxazol-2-ium (CID 90734380) is 4-tert-butyl-2-methyl-4,5-dihydro-1,2-oxazol-2-ium.
What is the SMILES notation for 4-tert-butyl-2-methyl-4,5-dihydro-1,2-oxazol-2-ium?
The canonical SMILES for 4-tert-butyl-2-methyl-4,5-dihydro-1,2-oxazol-2-ium is C[N+]1=CC(C(C)(C)C)CO1.
What is the InChIKey of 4-tert-butyl-2-methyl-4,5-dihydro-1,2-oxazol-2-ium?
The InChIKey is IMUZIXNMUTXVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16NO/c1-8(2,3)7-5-9(4)10-6-7/h5,7H,6H2,1-4H3/q+1.
What are the key properties of 4-tert-butyl-2-methyl-4,5-dihydro-1,2-oxazol-2-ium?
4-tert-butyl-2-methyl-4,5-dihydro-1,2-oxazol-2-ium has a molecular weight of 142.22 g/mol, XLogP of 1.31, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-methyl-4,5-dihydro-1,2-oxazol-2-ium is sourced from PubChem (CID 90734380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).