5-ethyl-2-(2-ethylsulfanylethyl)-1,3-oxazole

C9H15NOS — CID 118606358

IUPAC5-ethyl-2-(2-ethylsulfanylethyl)-1,3-oxazole
SMILESCCSCCc1ncc(CC)o1
InChIInChI=1S/C9H15NOS/c1-3-8-7-10-9(11-8)5-6-12-4-2/h7H,3-6H2,1-2H3
InChIKeyVCPZEJSVDYJEIB-UHFFFAOYSA-N
MW185.29 g/mol
LogP2.53
Rot. Bonds5

About 5-ethyl-2-(2-ethylsulfanylethyl)-1,3-oxazole

5-ethyl-2-(2-ethylsulfanylethyl)-1,3-oxazole (PubChem CID 118606358) has the molecular formula C9H15NOS and a molecular weight of 185.29 g/mol. Its IUPAC name is 5-ethyl-2-(2-ethylsulfanylethyl)-1,3-oxazole.

Molecular Properties

Compound Name5-ethyl-2-(2-ethylsulfanylethyl)-1,3-oxazole
PubChem CID118606358
Molecular FormulaC9H15NOS
Molecular Weight185.29 g/mol
Exact Mass185.09
IUPAC Name5-ethyl-2-(2-ethylsulfanylethyl)-1,3-oxazole
SMILESCCSCCc1ncc(CC)o1
InChIInChI=1S/C9H15NOS/c1-3-8-7-10-9(11-8)5-6-12-4-2/h7H,3-6H2,1-2H3
InChIKeyVCPZEJSVDYJEIB-UHFFFAOYSA-N
XLogP2.53
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 52.53
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 5-ethyl-2-(2-ethylsulfanylethyl)-1,3-oxazole?
The IUPAC name of 5-ethyl-2-(2-ethylsulfanylethyl)-1,3-oxazole (CID 118606358) is 5-ethyl-2-(2-ethylsulfanylethyl)-1,3-oxazole.
What is the SMILES notation for 5-ethyl-2-(2-ethylsulfanylethyl)-1,3-oxazole?
The canonical SMILES for 5-ethyl-2-(2-ethylsulfanylethyl)-1,3-oxazole is CCSCCc1ncc(CC)o1.
What is the InChIKey of 5-ethyl-2-(2-ethylsulfanylethyl)-1,3-oxazole?
The InChIKey is VCPZEJSVDYJEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NOS/c1-3-8-7-10-9(11-8)5-6-12-4-2/h7H,3-6H2,1-2H3.
What are the key properties of 5-ethyl-2-(2-ethylsulfanylethyl)-1,3-oxazole?
5-ethyl-2-(2-ethylsulfanylethyl)-1,3-oxazole has a molecular weight of 185.29 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(2-ethylsulfanylethyl)-1,3-oxazole is sourced from PubChem (CID 118606358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).