5-butyl-4-ethyl-1,3-oxazole

C9H15NO — CID 54265883

IUPAC5-butyl-4-ethyl-1,3-oxazole
SMILESCCCCc1ocnc1CC
InChIInChI=1S/C9H15NO/c1-3-5-6-9-8(4-2)10-7-11-9/h7H,3-6H2,1-2H3
InChIKeyMREZDMMOWFLMNQ-UHFFFAOYSA-N
MW153.22 g/mol
LogP2.58
Rot. Bonds4

About 5-butyl-4-ethyl-1,3-oxazole

5-butyl-4-ethyl-1,3-oxazole (PubChem CID 54265883) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 5-butyl-4-ethyl-1,3-oxazole.

Molecular Properties

Compound Name5-butyl-4-ethyl-1,3-oxazole
PubChem CID54265883
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name5-butyl-4-ethyl-1,3-oxazole
SMILESCCCCc1ocnc1CC
InChIInChI=1S/C9H15NO/c1-3-5-6-9-8(4-2)10-7-11-9/h7H,3-6H2,1-2H3
InChIKeyMREZDMMOWFLMNQ-UHFFFAOYSA-N
XLogP2.58
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-4-ethyl-1,3-oxazole?
The IUPAC name of 5-butyl-4-ethyl-1,3-oxazole (CID 54265883) is 5-butyl-4-ethyl-1,3-oxazole.
What is the SMILES notation for 5-butyl-4-ethyl-1,3-oxazole?
The canonical SMILES for 5-butyl-4-ethyl-1,3-oxazole is CCCCc1ocnc1CC.
What is the InChIKey of 5-butyl-4-ethyl-1,3-oxazole?
The InChIKey is MREZDMMOWFLMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-3-5-6-9-8(4-2)10-7-11-9/h7H,3-6H2,1-2H3.
What are the key properties of 5-butyl-4-ethyl-1,3-oxazole?
5-butyl-4-ethyl-1,3-oxazole has a molecular weight of 153.22 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-4-ethyl-1,3-oxazole is sourced from PubChem (CID 54265883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).