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

C9H15NOS — CID 122463117

IUPAC4-ethyl-2-(2-ethylsulfanylethyl)-1,3-oxazole
SMILESCCSCCc1nc(CC)co1
InChIInChI=1S/C9H15NOS/c1-3-8-7-11-9(10-8)5-6-12-4-2/h7H,3-6H2,1-2H3
InChIKeyMEZAYSUHLNDUJT-UHFFFAOYSA-N
MW185.29 g/mol
LogP2.53
Rot. Bonds5

About 4-ethyl-2-(2-ethylsulfanylethyl)-1,3-oxazole

4-ethyl-2-(2-ethylsulfanylethyl)-1,3-oxazole (PubChem CID 122463117) has the molecular formula C9H15NOS and a molecular weight of 185.29 g/mol. Its IUPAC name is 4-ethyl-2-(2-ethylsulfanylethyl)-1,3-oxazole.

Molecular Properties

Compound Name4-ethyl-2-(2-ethylsulfanylethyl)-1,3-oxazole
PubChem CID122463117
Molecular FormulaC9H15NOS
Molecular Weight185.29 g/mol
Exact Mass185.09
IUPAC Name4-ethyl-2-(2-ethylsulfanylethyl)-1,3-oxazole
SMILESCCSCCc1nc(CC)co1
InChIInChI=1S/C9H15NOS/c1-3-8-7-11-9(10-8)5-6-12-4-2/h7H,3-6H2,1-2H3
InChIKeyMEZAYSUHLNDUJT-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'}

Analyze 4-ethyl-2-(2-ethylsulfanylethyl)-1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(2-ethylsulfanylethyl)-1,3-oxazole?
The IUPAC name of 4-ethyl-2-(2-ethylsulfanylethyl)-1,3-oxazole (CID 122463117) is 4-ethyl-2-(2-ethylsulfanylethyl)-1,3-oxazole.
What is the SMILES notation for 4-ethyl-2-(2-ethylsulfanylethyl)-1,3-oxazole?
The canonical SMILES for 4-ethyl-2-(2-ethylsulfanylethyl)-1,3-oxazole is CCSCCc1nc(CC)co1.
What is the InChIKey of 4-ethyl-2-(2-ethylsulfanylethyl)-1,3-oxazole?
The InChIKey is MEZAYSUHLNDUJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NOS/c1-3-8-7-11-9(10-8)5-6-12-4-2/h7H,3-6H2,1-2H3.
What are the key properties of 4-ethyl-2-(2-ethylsulfanylethyl)-1,3-oxazole?
4-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 4-ethyl-2-(2-ethylsulfanylethyl)-1,3-oxazole is sourced from PubChem (CID 122463117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).