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

C6H9NO — CID 30215

IUPAC2,4,5-trimethyl-1,3-oxazole
SMILESCc1nc(C)c(C)o1
InChIInChI=1S/C6H9NO/c1-4-5(2)8-6(3)7-4/h1-3H3
InChIKeyZRLDBDZSLLGDOX-UHFFFAOYSA-N
MW111.14 g/mol
LogP1.60
Rot. Bonds

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

2,4,5-trimethyl-1,3-oxazole (PubChem CID 30215) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is 2,4,5-trimethyl-1,3-oxazole.

Molecular Properties

Compound Name2,4,5-trimethyl-1,3-oxazole
PubChem CID30215
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name2,4,5-trimethyl-1,3-oxazole
SMILESCc1nc(C)c(C)o1
InChIInChI=1S/C6H9NO/c1-4-5(2)8-6(3)7-4/h1-3H3
InChIKeyZRLDBDZSLLGDOX-UHFFFAOYSA-N
XLogP1.60
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.14
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethyl-1,3-oxazole?
The IUPAC name of 2,4,5-trimethyl-1,3-oxazole (CID 30215) is 2,4,5-trimethyl-1,3-oxazole.
What is the SMILES notation for 2,4,5-trimethyl-1,3-oxazole?
The canonical SMILES for 2,4,5-trimethyl-1,3-oxazole is Cc1nc(C)c(C)o1.
What is the InChIKey of 2,4,5-trimethyl-1,3-oxazole?
The InChIKey is ZRLDBDZSLLGDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO/c1-4-5(2)8-6(3)7-4/h1-3H3.
What are the key properties of 2,4,5-trimethyl-1,3-oxazole?
2,4,5-trimethyl-1,3-oxazole has a molecular weight of 111.14 g/mol, XLogP of 1.60, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethyl-1,3-oxazole is sourced from PubChem (CID 30215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).