4-[(3,5-difluorophenyl)methyl]-3-methyl-2-phenyl-5-(phenylsulfanylmethyl)-1,3-oxazolidine

C24H23F2NOS — CID 143547389

IUPAC4-[(3,5-difluorophenyl)methyl]-3-methyl-2-phenyl-5-(phenylsulfanylmethyl)-1,3-oxazolidine
SMILESCN1C(c2ccccc2)OC(CSc2ccccc2)C1Cc1cc(F)cc(F)c1
InChIInChI=1S/C24H23F2NOS/c1-27-22(14-17-12-19(25)15-20(26)13-17)23(16-29-21-10-6-3-7-11-21)28-24(27)18-8-4-2-5-9-18/h2-13,15,22-24H,14,16H2,1H3
InChIKeyOABPQPWCEJZFEJ-UHFFFAOYSA-N
MW411.52 g/mol
LogP5.70
Rot. Bonds6

About 4-[(3,5-difluorophenyl)methyl]-3-methyl-2-phenyl-5-(phenylsulfanylmethyl)-1,3-oxazolidine

4-[(3,5-difluorophenyl)methyl]-3-methyl-2-phenyl-5-(phenylsulfanylmethyl)-1,3-oxazolidine (PubChem CID 143547389) has the molecular formula C24H23F2NOS and a molecular weight of 411.52 g/mol. Its IUPAC name is 4-[(3,5-difluorophenyl)methyl]-3-methyl-2-phenyl-5-(phenylsulfanylmethyl)-1,3-oxazolidine.

Molecular Properties

Compound Name4-[(3,5-difluorophenyl)methyl]-3-methyl-2-phenyl-5-(phenylsulfanylmethyl)-1,3-oxazolidine
PubChem CID143547389
Molecular FormulaC24H23F2NOS
Molecular Weight411.52 g/mol
Exact Mass411.15
IUPAC Name4-[(3,5-difluorophenyl)methyl]-3-methyl-2-phenyl-5-(phenylsulfanylmethyl)-1,3-oxazolidine
SMILESCN1C(c2ccccc2)OC(CSc2ccccc2)C1Cc1cc(F)cc(F)c1
InChIInChI=1S/C24H23F2NOS/c1-27-22(14-17-12-19(25)15-20(26)13-17)23(16-29-21-10-6-3-7-11-21)28-24(27)18-8-4-2-5-9-18/h2-13,15,22-24H,14,16H2,1H3
InChIKeyOABPQPWCEJZFEJ-UHFFFAOYSA-N
XLogP5.70
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.52
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-difluorophenyl)methyl]-3-methyl-2-phenyl-5-(phenylsulfanylmethyl)-1,3-oxazolidine?
The IUPAC name of 4-[(3,5-difluorophenyl)methyl]-3-methyl-2-phenyl-5-(phenylsulfanylmethyl)-1,3-oxazolidine (CID 143547389) is 4-[(3,5-difluorophenyl)methyl]-3-methyl-2-phenyl-5-(phenylsulfanylmethyl)-1,3-oxazolidine.
What is the SMILES notation for 4-[(3,5-difluorophenyl)methyl]-3-methyl-2-phenyl-5-(phenylsulfanylmethyl)-1,3-oxazolidine?
The canonical SMILES for 4-[(3,5-difluorophenyl)methyl]-3-methyl-2-phenyl-5-(phenylsulfanylmethyl)-1,3-oxazolidine is CN1C(c2ccccc2)OC(CSc2ccccc2)C1Cc1cc(F)cc(F)c1.
What is the InChIKey of 4-[(3,5-difluorophenyl)methyl]-3-methyl-2-phenyl-5-(phenylsulfanylmethyl)-1,3-oxazolidine?
The InChIKey is OABPQPWCEJZFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2NOS/c1-27-22(14-17-12-19(25)15-20(26)13-17)23(16-29-21-10-6-3-7-11-21)28-24(27)18-8-4-2-5-9-18/h2-13,15,22-24H,14,16H2,1H3.
What are the key properties of 4-[(3,5-difluorophenyl)methyl]-3-methyl-2-phenyl-5-(phenylsulfanylmethyl)-1,3-oxazolidine?
4-[(3,5-difluorophenyl)methyl]-3-methyl-2-phenyl-5-(phenylsulfanylmethyl)-1,3-oxazolidine has a molecular weight of 411.52 g/mol, XLogP of 5.70, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-difluorophenyl)methyl]-3-methyl-2-phenyl-5-(phenylsulfanylmethyl)-1,3-oxazolidine is sourced from PubChem (CID 143547389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).