5-ethyl-2-hexyl-4-methyl-1,3-oxazole

C12H21NO — CID 525782

IUPAC5-ethyl-2-hexyl-4-methyl-1,3-oxazole
SMILESCCCCCCc1nc(C)c(CC)o1
InChIInChI=1S/C12H21NO/c1-4-6-7-8-9-12-13-10(3)11(5-2)14-12/h4-9H2,1-3H3
InChIKeyGMYPXSDTCUYNAF-UHFFFAOYSA-N
MW195.31 g/mol
LogP3.67
Rot. Bonds6

About 5-ethyl-2-hexyl-4-methyl-1,3-oxazole

5-ethyl-2-hexyl-4-methyl-1,3-oxazole (PubChem CID 525782) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 5-ethyl-2-hexyl-4-methyl-1,3-oxazole.

Molecular Properties

Compound Name5-ethyl-2-hexyl-4-methyl-1,3-oxazole
PubChem CID525782
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name5-ethyl-2-hexyl-4-methyl-1,3-oxazole
SMILESCCCCCCc1nc(C)c(CC)o1
InChIInChI=1S/C12H21NO/c1-4-6-7-8-9-12-13-10(3)11(5-2)14-12/h4-9H2,1-3H3
InChIKeyGMYPXSDTCUYNAF-UHFFFAOYSA-N
XLogP3.67
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-hexyl-4-methyl-1,3-oxazole?
The IUPAC name of 5-ethyl-2-hexyl-4-methyl-1,3-oxazole (CID 525782) is 5-ethyl-2-hexyl-4-methyl-1,3-oxazole.
What is the SMILES notation for 5-ethyl-2-hexyl-4-methyl-1,3-oxazole?
The canonical SMILES for 5-ethyl-2-hexyl-4-methyl-1,3-oxazole is CCCCCCc1nc(C)c(CC)o1.
What is the InChIKey of 5-ethyl-2-hexyl-4-methyl-1,3-oxazole?
The InChIKey is GMYPXSDTCUYNAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-4-6-7-8-9-12-13-10(3)11(5-2)14-12/h4-9H2,1-3H3.
What are the key properties of 5-ethyl-2-hexyl-4-methyl-1,3-oxazole?
5-ethyl-2-hexyl-4-methyl-1,3-oxazole has a molecular weight of 195.31 g/mol, XLogP of 3.67, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-hexyl-4-methyl-1,3-oxazole is sourced from PubChem (CID 525782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).