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

C8H13NO2S — CID 21329712

IUPAC2-butylsulfinyl-4-methyl-1,3-oxazole
SMILESCCCCS(=O)c1nc(C)co1
InChIInChI=1S/C8H13NO2S/c1-3-4-5-12(10)8-9-7(2)6-11-8/h6H,3-5H2,1-2H3
InChIKeyZFAIQINIVNSNQE-UHFFFAOYSA-N
MW187.26 g/mol
LogP1.89
Rot. Bonds4

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

2-butylsulfinyl-4-methyl-1,3-oxazole (PubChem CID 21329712) has the molecular formula C8H13NO2S and a molecular weight of 187.26 g/mol. Its IUPAC name is 2-butylsulfinyl-4-methyl-1,3-oxazole.

Molecular Properties

Compound Name2-butylsulfinyl-4-methyl-1,3-oxazole
PubChem CID21329712
Molecular FormulaC8H13NO2S
Molecular Weight187.26 g/mol
Exact Mass187.07
IUPAC Name2-butylsulfinyl-4-methyl-1,3-oxazole
SMILESCCCCS(=O)c1nc(C)co1
InChIInChI=1S/C8H13NO2S/c1-3-4-5-12(10)8-9-7(2)6-11-8/h6H,3-5H2,1-2H3
InChIKeyZFAIQINIVNSNQE-UHFFFAOYSA-N
XLogP1.89
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-butylsulfinyl-4-methyl-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 2-butylsulfinyl-4-methyl-1,3-oxazole?
The IUPAC name of 2-butylsulfinyl-4-methyl-1,3-oxazole (CID 21329712) is 2-butylsulfinyl-4-methyl-1,3-oxazole.
What is the SMILES notation for 2-butylsulfinyl-4-methyl-1,3-oxazole?
The canonical SMILES for 2-butylsulfinyl-4-methyl-1,3-oxazole is CCCCS(=O)c1nc(C)co1.
What is the InChIKey of 2-butylsulfinyl-4-methyl-1,3-oxazole?
The InChIKey is ZFAIQINIVNSNQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2S/c1-3-4-5-12(10)8-9-7(2)6-11-8/h6H,3-5H2,1-2H3.
What are the key properties of 2-butylsulfinyl-4-methyl-1,3-oxazole?
2-butylsulfinyl-4-methyl-1,3-oxazole has a molecular weight of 187.26 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylsulfinyl-4-methyl-1,3-oxazole is sourced from PubChem (CID 21329712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).