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

C6H11NO — CID 159289740

IUPAC5,5-dimethyl-3-(tritiomethyl)-4H-1,2-oxazole
SMILES[3H]CC1=NOC(C)(C)C1
InChIInChI=1S/C6H11NO/c1-5-4-6(2,3)8-7-5/h4H2,1-3H3/i1T
InChIKeyKZYQHSXURSPAAC-CNRUNOGKSA-N
MW115.17 g/mol
LogP1.56
Rot. Bonds1

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

5,5-dimethyl-3-(tritiomethyl)-4H-1,2-oxazole (PubChem CID 159289740) has the molecular formula C6H11NO and a molecular weight of 115.17 g/mol. Its IUPAC name is 5,5-dimethyl-3-(tritiomethyl)-4H-1,2-oxazole.

Molecular Properties

Compound Name5,5-dimethyl-3-(tritiomethyl)-4H-1,2-oxazole
PubChem CID159289740
Molecular FormulaC6H11NO
Molecular Weight115.17 g/mol
Exact Mass115.09
IUPAC Name5,5-dimethyl-3-(tritiomethyl)-4H-1,2-oxazole
SMILES[3H]CC1=NOC(C)(C)C1
InChIInChI=1S/C6H11NO/c1-5-4-6(2,3)8-7-5/h4H2,1-3H3/i1T
InChIKeyKZYQHSXURSPAAC-CNRUNOGKSA-N
XLogP1.56
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.17
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-(tritiomethyl)-4H-1,2-oxazole?
The IUPAC name of 5,5-dimethyl-3-(tritiomethyl)-4H-1,2-oxazole (CID 159289740) is 5,5-dimethyl-3-(tritiomethyl)-4H-1,2-oxazole.
What is the SMILES notation for 5,5-dimethyl-3-(tritiomethyl)-4H-1,2-oxazole?
The canonical SMILES for 5,5-dimethyl-3-(tritiomethyl)-4H-1,2-oxazole is [3H]CC1=NOC(C)(C)C1.
What is the InChIKey of 5,5-dimethyl-3-(tritiomethyl)-4H-1,2-oxazole?
The InChIKey is KZYQHSXURSPAAC-CNRUNOGKSA-N. The full InChI is InChI=1S/C6H11NO/c1-5-4-6(2,3)8-7-5/h4H2,1-3H3/i1T.
What are the key properties of 5,5-dimethyl-3-(tritiomethyl)-4H-1,2-oxazole?
5,5-dimethyl-3-(tritiomethyl)-4H-1,2-oxazole has a molecular weight of 115.17 g/mol, XLogP of 1.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-(tritiomethyl)-4H-1,2-oxazole is sourced from PubChem (CID 159289740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).