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

C8H13NO — CID 59688885

IUPAC3,4-diethyl-5-methyl-1,2-oxazole
SMILESCCc1noc(C)c1CC
InChIInChI=1S/C8H13NO/c1-4-7-6(3)10-9-8(7)5-2/h4-5H2,1-3H3
InChIKeyAJNJLONQMBOXKN-UHFFFAOYSA-N
MW139.20 g/mol
LogP2.11
Rot. Bonds2

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

3,4-diethyl-5-methyl-1,2-oxazole (PubChem CID 59688885) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 3,4-diethyl-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3,4-diethyl-5-methyl-1,2-oxazole
PubChem CID59688885
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name3,4-diethyl-5-methyl-1,2-oxazole
SMILESCCc1noc(C)c1CC
InChIInChI=1S/C8H13NO/c1-4-7-6(3)10-9-8(7)5-2/h4-5H2,1-3H3
InChIKeyAJNJLONQMBOXKN-UHFFFAOYSA-N
XLogP2.11
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-diethyl-5-methyl-1,2-oxazole?
The IUPAC name of 3,4-diethyl-5-methyl-1,2-oxazole (CID 59688885) is 3,4-diethyl-5-methyl-1,2-oxazole.
What is the SMILES notation for 3,4-diethyl-5-methyl-1,2-oxazole?
The canonical SMILES for 3,4-diethyl-5-methyl-1,2-oxazole is CCc1noc(C)c1CC.
What is the InChIKey of 3,4-diethyl-5-methyl-1,2-oxazole?
The InChIKey is AJNJLONQMBOXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-4-7-6(3)10-9-8(7)5-2/h4-5H2,1-3H3.
What are the key properties of 3,4-diethyl-5-methyl-1,2-oxazole?
3,4-diethyl-5-methyl-1,2-oxazole has a molecular weight of 139.20 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethyl-5-methyl-1,2-oxazole is sourced from PubChem (CID 59688885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).