4-(fluoromethyl)-2,2,3-trimethyl-5-(4-methylsulfanylphenyl)-1,3-oxazolidine

C14H20FNOS — CID 134222112

IUPAC4-(fluoromethyl)-2,2,3-trimethyl-5-(4-methylsulfanylphenyl)-1,3-oxazolidine
SMILESCSc1ccc(C2OC(C)(C)N(C)C2CF)cc1
InChIInChI=1S/C14H20FNOS/c1-14(2)16(3)12(9-15)13(17-14)10-5-7-11(18-4)8-6-10/h5-8,12-13H,9H2,1-4H3
InChIKeyGWSVWFWQCIKJIV-UHFFFAOYSA-N
MW269.38 g/mol
LogP3.49
Rot. Bonds3

About 4-(fluoromethyl)-2,2,3-trimethyl-5-(4-methylsulfanylphenyl)-1,3-oxazolidine

4-(fluoromethyl)-2,2,3-trimethyl-5-(4-methylsulfanylphenyl)-1,3-oxazolidine (PubChem CID 134222112) has the molecular formula C14H20FNOS and a molecular weight of 269.38 g/mol. Its IUPAC name is 4-(fluoromethyl)-2,2,3-trimethyl-5-(4-methylsulfanylphenyl)-1,3-oxazolidine.

Molecular Properties

Compound Name4-(fluoromethyl)-2,2,3-trimethyl-5-(4-methylsulfanylphenyl)-1,3-oxazolidine
PubChem CID134222112
Molecular FormulaC14H20FNOS
Molecular Weight269.38 g/mol
Exact Mass269.12
IUPAC Name4-(fluoromethyl)-2,2,3-trimethyl-5-(4-methylsulfanylphenyl)-1,3-oxazolidine
SMILESCSc1ccc(C2OC(C)(C)N(C)C2CF)cc1
InChIInChI=1S/C14H20FNOS/c1-14(2)16(3)12(9-15)13(17-14)10-5-7-11(18-4)8-6-10/h5-8,12-13H,9H2,1-4H3
InChIKeyGWSVWFWQCIKJIV-UHFFFAOYSA-N
XLogP3.49
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(fluoromethyl)-2,2,3-trimethyl-5-(4-methylsulfanylphenyl)-1,3-oxazolidine 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-(fluoromethyl)-2,2,3-trimethyl-5-(4-methylsulfanylphenyl)-1,3-oxazolidine?
The IUPAC name of 4-(fluoromethyl)-2,2,3-trimethyl-5-(4-methylsulfanylphenyl)-1,3-oxazolidine (CID 134222112) is 4-(fluoromethyl)-2,2,3-trimethyl-5-(4-methylsulfanylphenyl)-1,3-oxazolidine.
What is the SMILES notation for 4-(fluoromethyl)-2,2,3-trimethyl-5-(4-methylsulfanylphenyl)-1,3-oxazolidine?
The canonical SMILES for 4-(fluoromethyl)-2,2,3-trimethyl-5-(4-methylsulfanylphenyl)-1,3-oxazolidine is CSc1ccc(C2OC(C)(C)N(C)C2CF)cc1.
What is the InChIKey of 4-(fluoromethyl)-2,2,3-trimethyl-5-(4-methylsulfanylphenyl)-1,3-oxazolidine?
The InChIKey is GWSVWFWQCIKJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNOS/c1-14(2)16(3)12(9-15)13(17-14)10-5-7-11(18-4)8-6-10/h5-8,12-13H,9H2,1-4H3.
What are the key properties of 4-(fluoromethyl)-2,2,3-trimethyl-5-(4-methylsulfanylphenyl)-1,3-oxazolidine?
4-(fluoromethyl)-2,2,3-trimethyl-5-(4-methylsulfanylphenyl)-1,3-oxazolidine has a molecular weight of 269.38 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-2,2,3-trimethyl-5-(4-methylsulfanylphenyl)-1,3-oxazolidine is sourced from PubChem (CID 134222112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).