5,5-diethyl-3-methyl-4H-1,2-oxazole

C8H15NO — CID 118298735

IUPAC5,5-diethyl-3-methyl-4H-1,2-oxazole
SMILESCCC1(CC)CC(C)=NO1
InChIInChI=1S/C8H15NO/c1-4-8(5-2)6-7(3)9-10-8/h4-6H2,1-3H3
InChIKeyHJPBPCHXUXNOEE-UHFFFAOYSA-N
MW141.21 g/mol
LogP2.34
Rot. Bonds2

About 5,5-diethyl-3-methyl-4H-1,2-oxazole

5,5-diethyl-3-methyl-4H-1,2-oxazole (PubChem CID 118298735) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 5,5-diethyl-3-methyl-4H-1,2-oxazole.

Molecular Properties

Compound Name5,5-diethyl-3-methyl-4H-1,2-oxazole
PubChem CID118298735
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name5,5-diethyl-3-methyl-4H-1,2-oxazole
SMILESCCC1(CC)CC(C)=NO1
InChIInChI=1S/C8H15NO/c1-4-8(5-2)6-7(3)9-10-8/h4-6H2,1-3H3
InChIKeyHJPBPCHXUXNOEE-UHFFFAOYSA-N
XLogP2.34
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5-diethyl-3-methyl-4H-1,2-oxazole?
The IUPAC name of 5,5-diethyl-3-methyl-4H-1,2-oxazole (CID 118298735) is 5,5-diethyl-3-methyl-4H-1,2-oxazole.
What is the SMILES notation for 5,5-diethyl-3-methyl-4H-1,2-oxazole?
The canonical SMILES for 5,5-diethyl-3-methyl-4H-1,2-oxazole is CCC1(CC)CC(C)=NO1.
What is the InChIKey of 5,5-diethyl-3-methyl-4H-1,2-oxazole?
The InChIKey is HJPBPCHXUXNOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-4-8(5-2)6-7(3)9-10-8/h4-6H2,1-3H3.
What are the key properties of 5,5-diethyl-3-methyl-4H-1,2-oxazole?
5,5-diethyl-3-methyl-4H-1,2-oxazole has a molecular weight of 141.21 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethyl-3-methyl-4H-1,2-oxazole is sourced from PubChem (CID 118298735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).