2-hexylsulfinyl-4-methyl-1,3-oxazole

C10H17NO2S — CID 21329744

IUPAC2-hexylsulfinyl-4-methyl-1,3-oxazole
SMILESCCCCCCS(=O)c1nc(C)co1
InChIInChI=1S/C10H17NO2S/c1-3-4-5-6-7-14(12)10-11-9(2)8-13-10/h8H,3-7H2,1-2H3
InChIKeySCFCQBPUOMKUGV-UHFFFAOYSA-N
MW215.32 g/mol
LogP2.67
Rot. Bonds6

About 2-hexylsulfinyl-4-methyl-1,3-oxazole

2-hexylsulfinyl-4-methyl-1,3-oxazole (PubChem CID 21329744) has the molecular formula C10H17NO2S and a molecular weight of 215.32 g/mol. Its IUPAC name is 2-hexylsulfinyl-4-methyl-1,3-oxazole.

Molecular Properties

Compound Name2-hexylsulfinyl-4-methyl-1,3-oxazole
PubChem CID21329744
Molecular FormulaC10H17NO2S
Molecular Weight215.32 g/mol
Exact Mass215.10
IUPAC Name2-hexylsulfinyl-4-methyl-1,3-oxazole
SMILESCCCCCCS(=O)c1nc(C)co1
InChIInChI=1S/C10H17NO2S/c1-3-4-5-6-7-14(12)10-11-9(2)8-13-10/h8H,3-7H2,1-2H3
InChIKeySCFCQBPUOMKUGV-UHFFFAOYSA-N
XLogP2.67
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2-hexylsulfinyl-4-methyl-1,3-oxazole?
The IUPAC name of 2-hexylsulfinyl-4-methyl-1,3-oxazole (CID 21329744) is 2-hexylsulfinyl-4-methyl-1,3-oxazole.
What is the SMILES notation for 2-hexylsulfinyl-4-methyl-1,3-oxazole?
The canonical SMILES for 2-hexylsulfinyl-4-methyl-1,3-oxazole is CCCCCCS(=O)c1nc(C)co1.
What is the InChIKey of 2-hexylsulfinyl-4-methyl-1,3-oxazole?
The InChIKey is SCFCQBPUOMKUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2S/c1-3-4-5-6-7-14(12)10-11-9(2)8-13-10/h8H,3-7H2,1-2H3.
What are the key properties of 2-hexylsulfinyl-4-methyl-1,3-oxazole?
2-hexylsulfinyl-4-methyl-1,3-oxazole has a molecular weight of 215.32 g/mol, XLogP of 2.67, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexylsulfinyl-4-methyl-1,3-oxazole is sourced from PubChem (CID 21329744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).