5-[[(S)-(2-fluorophenyl)methylsulfinyl]methyl]-3-methyl-1,2-oxazole

C12H12FNO2S — CID 95332582

IUPAC5-[[(S)-(2-fluorophenyl)methylsulfinyl]methyl]-3-methyl-1,2-oxazole
SMILESCc1cc(C[S@@](=O)Cc2ccccc2F)on1
InChIInChI=1S/C12H12FNO2S/c1-9-6-11(16-14-9)8-17(15)7-10-4-2-3-5-12(10)13/h2-6H,7-8H2,1H3/t17-/m0/s1
InChIKeyXRTRIQROTUALSL-KRWDZBQOSA-N
MW253.30 g/mol
LogP2.57
Rot. Bonds4

About 5-[[(S)-(2-fluorophenyl)methylsulfinyl]methyl]-3-methyl-1,2-oxazole

5-[[(S)-(2-fluorophenyl)methylsulfinyl]methyl]-3-methyl-1,2-oxazole (PubChem CID 95332582) has the molecular formula C12H12FNO2S and a molecular weight of 253.30 g/mol. Its IUPAC name is 5-[[(S)-(2-fluorophenyl)methylsulfinyl]methyl]-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-[[(S)-(2-fluorophenyl)methylsulfinyl]methyl]-3-methyl-1,2-oxazole
PubChem CID95332582
Molecular FormulaC12H12FNO2S
Molecular Weight253.30 g/mol
Exact Mass253.06
IUPAC Name5-[[(S)-(2-fluorophenyl)methylsulfinyl]methyl]-3-methyl-1,2-oxazole
SMILESCc1cc(C[S@@](=O)Cc2ccccc2F)on1
InChIInChI=1S/C12H12FNO2S/c1-9-6-11(16-14-9)8-17(15)7-10-4-2-3-5-12(10)13/h2-6H,7-8H2,1H3/t17-/m0/s1
InChIKeyXRTRIQROTUALSL-KRWDZBQOSA-N
XLogP2.57
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-[[(S)-(2-fluorophenyl)methylsulfinyl]methyl]-3-methyl-1,2-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 5-[[(S)-(2-fluorophenyl)methylsulfinyl]methyl]-3-methyl-1,2-oxazole?
The IUPAC name of 5-[[(S)-(2-fluorophenyl)methylsulfinyl]methyl]-3-methyl-1,2-oxazole (CID 95332582) is 5-[[(S)-(2-fluorophenyl)methylsulfinyl]methyl]-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-[[(S)-(2-fluorophenyl)methylsulfinyl]methyl]-3-methyl-1,2-oxazole?
The canonical SMILES for 5-[[(S)-(2-fluorophenyl)methylsulfinyl]methyl]-3-methyl-1,2-oxazole is Cc1cc(C[S@@](=O)Cc2ccccc2F)on1.
What is the InChIKey of 5-[[(S)-(2-fluorophenyl)methylsulfinyl]methyl]-3-methyl-1,2-oxazole?
The InChIKey is XRTRIQROTUALSL-KRWDZBQOSA-N. The full InChI is InChI=1S/C12H12FNO2S/c1-9-6-11(16-14-9)8-17(15)7-10-4-2-3-5-12(10)13/h2-6H,7-8H2,1H3/t17-/m0/s1.
What are the key properties of 5-[[(S)-(2-fluorophenyl)methylsulfinyl]methyl]-3-methyl-1,2-oxazole?
5-[[(S)-(2-fluorophenyl)methylsulfinyl]methyl]-3-methyl-1,2-oxazole has a molecular weight of 253.30 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(S)-(2-fluorophenyl)methylsulfinyl]methyl]-3-methyl-1,2-oxazole is sourced from PubChem (CID 95332582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).