2,2,4-trimethyl-5H-1,3-oxazole

C6H11NO — CID 91102777

IUPAC2,2,4-trimethyl-5H-1,3-oxazole
SMILESCC1=NC(C)(C)OC1
InChIInChI=1S/C6H11NO/c1-5-4-8-6(2,3)7-5/h4H2,1-3H3
InChIKeyUZYIKIQIVSGZFX-UHFFFAOYSA-N
MW113.16 g/mol
LogP1.21
Rot. Bonds

About 2,2,4-trimethyl-5H-1,3-oxazole

2,2,4-trimethyl-5H-1,3-oxazole (PubChem CID 91102777) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is 2,2,4-trimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2,2,4-trimethyl-5H-1,3-oxazole
PubChem CID91102777
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name2,2,4-trimethyl-5H-1,3-oxazole
SMILESCC1=NC(C)(C)OC1
InChIInChI=1S/C6H11NO/c1-5-4-8-6(2,3)7-5/h4H2,1-3H3
InChIKeyUZYIKIQIVSGZFX-UHFFFAOYSA-N
XLogP1.21
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,4-trimethyl-5H-1,3-oxazole?
The IUPAC name of 2,2,4-trimethyl-5H-1,3-oxazole (CID 91102777) is 2,2,4-trimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2,2,4-trimethyl-5H-1,3-oxazole?
The canonical SMILES for 2,2,4-trimethyl-5H-1,3-oxazole is CC1=NC(C)(C)OC1.
What is the InChIKey of 2,2,4-trimethyl-5H-1,3-oxazole?
The InChIKey is UZYIKIQIVSGZFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c1-5-4-8-6(2,3)7-5/h4H2,1-3H3.
What are the key properties of 2,2,4-trimethyl-5H-1,3-oxazole?
2,2,4-trimethyl-5H-1,3-oxazole has a molecular weight of 113.16 g/mol, XLogP of 1.21, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trimethyl-5H-1,3-oxazole is sourced from PubChem (CID 91102777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).