4,4-dibenzyl-1,3-oxazolidine-2-thione

C17H17NOS — CID 25214828

IUPAC4,4-dibenzyl-1,3-oxazolidine-2-thione
SMILESS=C1NC(Cc2ccccc2)(Cc2ccccc2)CO1
InChIInChI=1S/C17H17NOS/c20-16-18-17(13-19-16,11-14-7-3-1-4-8-14)12-15-9-5-2-6-10-15/h1-10H,11-13H2,(H,18,20)
InChIKeyNKUDHGWILWFMGO-UHFFFAOYSA-N
MW283.40 g/mol
LogP3.12
Rot. Bonds4

About 4,4-dibenzyl-1,3-oxazolidine-2-thione

4,4-dibenzyl-1,3-oxazolidine-2-thione (PubChem CID 25214828) has the molecular formula C17H17NOS and a molecular weight of 283.40 g/mol. Its IUPAC name is 4,4-dibenzyl-1,3-oxazolidine-2-thione.

Molecular Properties

Compound Name4,4-dibenzyl-1,3-oxazolidine-2-thione
PubChem CID25214828
Molecular FormulaC17H17NOS
Molecular Weight283.40 g/mol
Exact Mass283.10
IUPAC Name4,4-dibenzyl-1,3-oxazolidine-2-thione
SMILESS=C1NC(Cc2ccccc2)(Cc2ccccc2)CO1
InChIInChI=1S/C17H17NOS/c20-16-18-17(13-19-16,11-14-7-3-1-4-8-14)12-15-9-5-2-6-10-15/h1-10H,11-13H2,(H,18,20)
InChIKeyNKUDHGWILWFMGO-UHFFFAOYSA-N
XLogP3.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,4-dibenzyl-1,3-oxazolidine-2-thione?
The IUPAC name of 4,4-dibenzyl-1,3-oxazolidine-2-thione (CID 25214828) is 4,4-dibenzyl-1,3-oxazolidine-2-thione.
What is the SMILES notation for 4,4-dibenzyl-1,3-oxazolidine-2-thione?
The canonical SMILES for 4,4-dibenzyl-1,3-oxazolidine-2-thione is S=C1NC(Cc2ccccc2)(Cc2ccccc2)CO1.
What is the InChIKey of 4,4-dibenzyl-1,3-oxazolidine-2-thione?
The InChIKey is NKUDHGWILWFMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NOS/c20-16-18-17(13-19-16,11-14-7-3-1-4-8-14)12-15-9-5-2-6-10-15/h1-10H,11-13H2,(H,18,20).
What are the key properties of 4,4-dibenzyl-1,3-oxazolidine-2-thione?
4,4-dibenzyl-1,3-oxazolidine-2-thione has a molecular weight of 283.40 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dibenzyl-1,3-oxazolidine-2-thione is sourced from PubChem (CID 25214828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).