2,3-dimethyl-4-phenyl-2-(2-phenylethylsulfanyl)-1,3-oxazolidine

C19H23NOS — CID 174582169

IUPAC2,3-dimethyl-4-phenyl-2-(2-phenylethylsulfanyl)-1,3-oxazolidine
SMILESCN1C(c2ccccc2)COC1(C)SCCc1ccccc1
InChIInChI=1S/C19H23NOS/c1-19(22-14-13-16-9-5-3-6-10-16)20(2)18(15-21-19)17-11-7-4-8-12-17/h3-12,18H,13-15H2,1-2H3
InChIKeyLQFMBABZLICFTL-UHFFFAOYSA-N
MW313.47 g/mol
LogP4.34
Rot. Bonds5

About 2,3-dimethyl-4-phenyl-2-(2-phenylethylsulfanyl)-1,3-oxazolidine

2,3-dimethyl-4-phenyl-2-(2-phenylethylsulfanyl)-1,3-oxazolidine (PubChem CID 174582169) has the molecular formula C19H23NOS and a molecular weight of 313.47 g/mol. Its IUPAC name is 2,3-dimethyl-4-phenyl-2-(2-phenylethylsulfanyl)-1,3-oxazolidine.

Molecular Properties

Compound Name2,3-dimethyl-4-phenyl-2-(2-phenylethylsulfanyl)-1,3-oxazolidine
PubChem CID174582169
Molecular FormulaC19H23NOS
Molecular Weight313.47 g/mol
Exact Mass313.15
IUPAC Name2,3-dimethyl-4-phenyl-2-(2-phenylethylsulfanyl)-1,3-oxazolidine
SMILESCN1C(c2ccccc2)COC1(C)SCCc1ccccc1
InChIInChI=1S/C19H23NOS/c1-19(22-14-13-16-9-5-3-6-10-16)20(2)18(15-21-19)17-11-7-4-8-12-17/h3-12,18H,13-15H2,1-2H3
InChIKeyLQFMBABZLICFTL-UHFFFAOYSA-N
XLogP4.34
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-4-phenyl-2-(2-phenylethylsulfanyl)-1,3-oxazolidine?
The IUPAC name of 2,3-dimethyl-4-phenyl-2-(2-phenylethylsulfanyl)-1,3-oxazolidine (CID 174582169) is 2,3-dimethyl-4-phenyl-2-(2-phenylethylsulfanyl)-1,3-oxazolidine.
What is the SMILES notation for 2,3-dimethyl-4-phenyl-2-(2-phenylethylsulfanyl)-1,3-oxazolidine?
The canonical SMILES for 2,3-dimethyl-4-phenyl-2-(2-phenylethylsulfanyl)-1,3-oxazolidine is CN1C(c2ccccc2)COC1(C)SCCc1ccccc1.
What is the InChIKey of 2,3-dimethyl-4-phenyl-2-(2-phenylethylsulfanyl)-1,3-oxazolidine?
The InChIKey is LQFMBABZLICFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NOS/c1-19(22-14-13-16-9-5-3-6-10-16)20(2)18(15-21-19)17-11-7-4-8-12-17/h3-12,18H,13-15H2,1-2H3.
What are the key properties of 2,3-dimethyl-4-phenyl-2-(2-phenylethylsulfanyl)-1,3-oxazolidine?
2,3-dimethyl-4-phenyl-2-(2-phenylethylsulfanyl)-1,3-oxazolidine has a molecular weight of 313.47 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-4-phenyl-2-(2-phenylethylsulfanyl)-1,3-oxazolidine is sourced from PubChem (CID 174582169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).