5-heptyl-3-methyl-1,2-oxazole

C11H19NO — CID 57223532

IUPAC5-heptyl-3-methyl-1,2-oxazole
SMILESCCCCCCCc1cc(C)no1
InChIInChI=1S/C11H19NO/c1-3-4-5-6-7-8-11-9-10(2)12-13-11/h9H,3-8H2,1-2H3
InChIKeyJEIFWAWDEQTFPU-UHFFFAOYSA-N
MW181.28 g/mol
LogP3.50
Rot. Bonds6

About 5-heptyl-3-methyl-1,2-oxazole

5-heptyl-3-methyl-1,2-oxazole (PubChem CID 57223532) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 5-heptyl-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-heptyl-3-methyl-1,2-oxazole
PubChem CID57223532
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name5-heptyl-3-methyl-1,2-oxazole
SMILESCCCCCCCc1cc(C)no1
InChIInChI=1S/C11H19NO/c1-3-4-5-6-7-8-11-9-10(2)12-13-11/h9H,3-8H2,1-2H3
InChIKeyJEIFWAWDEQTFPU-UHFFFAOYSA-N
XLogP3.50
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 53.50
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-heptyl-3-methyl-1,2-oxazole?
The IUPAC name of 5-heptyl-3-methyl-1,2-oxazole (CID 57223532) is 5-heptyl-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-heptyl-3-methyl-1,2-oxazole?
The canonical SMILES for 5-heptyl-3-methyl-1,2-oxazole is CCCCCCCc1cc(C)no1.
What is the InChIKey of 5-heptyl-3-methyl-1,2-oxazole?
The InChIKey is JEIFWAWDEQTFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-3-4-5-6-7-8-11-9-10(2)12-13-11/h9H,3-8H2,1-2H3.
What are the key properties of 5-heptyl-3-methyl-1,2-oxazole?
5-heptyl-3-methyl-1,2-oxazole has a molecular weight of 181.28 g/mol, XLogP of 3.50, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-heptyl-3-methyl-1,2-oxazole is sourced from PubChem (CID 57223532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).