4-(4-fluorophenyl)-2,5-dimethyl-5-(4-methylsulfonylphenyl)-1,3-oxazolidine

C18H20FNO3S — CID 18946586

IUPAC4-(4-fluorophenyl)-2,5-dimethyl-5-(4-methylsulfonylphenyl)-1,3-oxazolidine
SMILESCC1NC(c2ccc(F)cc2)C(C)(c2ccc(S(C)(=O)=O)cc2)O1
InChIInChI=1S/C18H20FNO3S/c1-12-20-17(13-4-8-15(19)9-5-13)18(2,23-12)14-6-10-16(11-7-14)24(3,21)22/h4-12,17,20H,1-3H3
InChIKeyXZYWOMJMMXPBJJ-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.15
Rot. Bonds3

About 4-(4-fluorophenyl)-2,5-dimethyl-5-(4-methylsulfonylphenyl)-1,3-oxazolidine

4-(4-fluorophenyl)-2,5-dimethyl-5-(4-methylsulfonylphenyl)-1,3-oxazolidine (PubChem CID 18946586) has the molecular formula C18H20FNO3S and a molecular weight of 349.43 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2,5-dimethyl-5-(4-methylsulfonylphenyl)-1,3-oxazolidine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2,5-dimethyl-5-(4-methylsulfonylphenyl)-1,3-oxazolidine
PubChem CID18946586
Molecular FormulaC18H20FNO3S
Molecular Weight349.43 g/mol
Exact Mass349.11
IUPAC Name4-(4-fluorophenyl)-2,5-dimethyl-5-(4-methylsulfonylphenyl)-1,3-oxazolidine
SMILESCC1NC(c2ccc(F)cc2)C(C)(c2ccc(S(C)(=O)=O)cc2)O1
InChIInChI=1S/C18H20FNO3S/c1-12-20-17(13-4-8-15(19)9-5-13)18(2,23-12)14-6-10-16(11-7-14)24(3,21)22/h4-12,17,20H,1-3H3
InChIKeyXZYWOMJMMXPBJJ-UHFFFAOYSA-N
XLogP3.15
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2,5-dimethyl-5-(4-methylsulfonylphenyl)-1,3-oxazolidine?
The IUPAC name of 4-(4-fluorophenyl)-2,5-dimethyl-5-(4-methylsulfonylphenyl)-1,3-oxazolidine (CID 18946586) is 4-(4-fluorophenyl)-2,5-dimethyl-5-(4-methylsulfonylphenyl)-1,3-oxazolidine.
What is the SMILES notation for 4-(4-fluorophenyl)-2,5-dimethyl-5-(4-methylsulfonylphenyl)-1,3-oxazolidine?
The canonical SMILES for 4-(4-fluorophenyl)-2,5-dimethyl-5-(4-methylsulfonylphenyl)-1,3-oxazolidine is CC1NC(c2ccc(F)cc2)C(C)(c2ccc(S(C)(=O)=O)cc2)O1.
What is the InChIKey of 4-(4-fluorophenyl)-2,5-dimethyl-5-(4-methylsulfonylphenyl)-1,3-oxazolidine?
The InChIKey is XZYWOMJMMXPBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO3S/c1-12-20-17(13-4-8-15(19)9-5-13)18(2,23-12)14-6-10-16(11-7-14)24(3,21)22/h4-12,17,20H,1-3H3.
What are the key properties of 4-(4-fluorophenyl)-2,5-dimethyl-5-(4-methylsulfonylphenyl)-1,3-oxazolidine?
4-(4-fluorophenyl)-2,5-dimethyl-5-(4-methylsulfonylphenyl)-1,3-oxazolidine has a molecular weight of 349.43 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2,5-dimethyl-5-(4-methylsulfonylphenyl)-1,3-oxazolidine is sourced from PubChem (CID 18946586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).