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

C11H19NO — CID 525778

IUPAC2-butyl-4,5-diethyl-1,3-oxazole
SMILESCCCCc1nc(CC)c(CC)o1
InChIInChI=1S/C11H19NO/c1-4-7-8-11-12-9(5-2)10(6-3)13-11/h4-8H2,1-3H3
InChIKeyLVIUUUNWXOKYDD-UHFFFAOYSA-N
MW181.28 g/mol
LogP3.14
Rot. Bonds5

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

2-butyl-4,5-diethyl-1,3-oxazole (PubChem CID 525778) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 2-butyl-4,5-diethyl-1,3-oxazole.

Molecular Properties

Compound Name2-butyl-4,5-diethyl-1,3-oxazole
PubChem CID525778
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name2-butyl-4,5-diethyl-1,3-oxazole
SMILESCCCCc1nc(CC)c(CC)o1
InChIInChI=1S/C11H19NO/c1-4-7-8-11-12-9(5-2)10(6-3)13-11/h4-8H2,1-3H3
InChIKeyLVIUUUNWXOKYDD-UHFFFAOYSA-N
XLogP3.14
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-4,5-diethyl-1,3-oxazole?
The IUPAC name of 2-butyl-4,5-diethyl-1,3-oxazole (CID 525778) is 2-butyl-4,5-diethyl-1,3-oxazole.
What is the SMILES notation for 2-butyl-4,5-diethyl-1,3-oxazole?
The canonical SMILES for 2-butyl-4,5-diethyl-1,3-oxazole is CCCCc1nc(CC)c(CC)o1.
What is the InChIKey of 2-butyl-4,5-diethyl-1,3-oxazole?
The InChIKey is LVIUUUNWXOKYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-4-7-8-11-12-9(5-2)10(6-3)13-11/h4-8H2,1-3H3.
What are the key properties of 2-butyl-4,5-diethyl-1,3-oxazole?
2-butyl-4,5-diethyl-1,3-oxazole has a molecular weight of 181.28 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4,5-diethyl-1,3-oxazole is sourced from PubChem (CID 525778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).