2,5-diethyl-1,3-oxazole

C7H11NO — CID 3016237

IUPAC2,5-diethyl-1,3-oxazole
SMILESCCc1cnc(CC)o1
InChIInChI=1S/C7H11NO/c1-3-6-5-8-7(4-2)9-6/h5H,3-4H2,1-2H3
InChIKeyIQWHXRKZJXFLTB-UHFFFAOYSA-N
MW125.17 g/mol
LogP1.80
Rot. Bonds2

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

2,5-diethyl-1,3-oxazole (PubChem CID 3016237) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 2,5-diethyl-1,3-oxazole.

Molecular Properties

Compound Name2,5-diethyl-1,3-oxazole
PubChem CID3016237
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name2,5-diethyl-1,3-oxazole
SMILESCCc1cnc(CC)o1
InChIInChI=1S/C7H11NO/c1-3-6-5-8-7(4-2)9-6/h5H,3-4H2,1-2H3
InChIKeyIQWHXRKZJXFLTB-UHFFFAOYSA-N
XLogP1.80
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-diethyl-1,3-oxazole?
The IUPAC name of 2,5-diethyl-1,3-oxazole (CID 3016237) is 2,5-diethyl-1,3-oxazole.
What is the SMILES notation for 2,5-diethyl-1,3-oxazole?
The canonical SMILES for 2,5-diethyl-1,3-oxazole is CCc1cnc(CC)o1.
What is the InChIKey of 2,5-diethyl-1,3-oxazole?
The InChIKey is IQWHXRKZJXFLTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-3-6-5-8-7(4-2)9-6/h5H,3-4H2,1-2H3.
What are the key properties of 2,5-diethyl-1,3-oxazole?
2,5-diethyl-1,3-oxazole has a molecular weight of 125.17 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diethyl-1,3-oxazole is sourced from PubChem (CID 3016237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).