(2S,4R,5S)-3,4-dimethyl-5-phenyl-2-thiophen-2-yl-1,3-oxazolidin-3-ium

C15H18NOS+ — CID 7074165

IUPAC(2S,4R,5S)-3,4-dimethyl-5-phenyl-2-thiophen-2-yl-1,3-oxazolidin-3-ium
SMILESC[C@@H]1[C@H](c2ccccc2)O[C@@H](c2cccs2)[NH+]1C
InChIInChI=1S/C15H17NOS/c1-11-14(12-7-4-3-5-8-12)17-15(16(11)2)13-9-6-10-18-13/h3-11,14-15H,1-2H3/p+1/t11-,14-,15+/m1/s1
InChIKeyUFDNKBVVFFWGRF-DFBGVHRSSA-O
MW260.38 g/mol
LogP2.42
Rot. Bonds2

About (2S,4R,5S)-3,4-dimethyl-5-phenyl-2-thiophen-2-yl-1,3-oxazolidin-3-ium

(2S,4R,5S)-3,4-dimethyl-5-phenyl-2-thiophen-2-yl-1,3-oxazolidin-3-ium (PubChem CID 7074165) has the molecular formula C15H18NOS+ and a molecular weight of 260.38 g/mol. Its IUPAC name is (2S,4R,5S)-3,4-dimethyl-5-phenyl-2-thiophen-2-yl-1,3-oxazolidin-3-ium.

Molecular Properties

Compound Name(2S,4R,5S)-3,4-dimethyl-5-phenyl-2-thiophen-2-yl-1,3-oxazolidin-3-ium
PubChem CID7074165
Molecular FormulaC15H18NOS+
Molecular Weight260.38 g/mol
Exact Mass260.11
IUPAC Name(2S,4R,5S)-3,4-dimethyl-5-phenyl-2-thiophen-2-yl-1,3-oxazolidin-3-ium
SMILESC[C@@H]1[C@H](c2ccccc2)O[C@@H](c2cccs2)[NH+]1C
InChIInChI=1S/C15H17NOS/c1-11-14(12-7-4-3-5-8-12)17-15(16(11)2)13-9-6-10-18-13/h3-11,14-15H,1-2H3/p+1/t11-,14-,15+/m1/s1
InChIKeyUFDNKBVVFFWGRF-DFBGVHRSSA-O
XLogP2.42
TPSA13.67 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S,4R,5S)-3,4-dimethyl-5-phenyl-2-thiophen-2-yl-1,3-oxazolidin-3-ium with MolForge

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Related Compounds

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CID 132581684
dimethyl (2S,5R)-5-phenyl-2-thiophen-2-yloxolane-3,3-dicarboxylate
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Frequently Asked Questions

What is the IUPAC name of (2S,4R,5S)-3,4-dimethyl-5-phenyl-2-thiophen-2-yl-1,3-oxazolidin-3-ium?
The IUPAC name of (2S,4R,5S)-3,4-dimethyl-5-phenyl-2-thiophen-2-yl-1,3-oxazolidin-3-ium (CID 7074165) is (2S,4R,5S)-3,4-dimethyl-5-phenyl-2-thiophen-2-yl-1,3-oxazolidin-3-ium.
What is the SMILES notation for (2S,4R,5S)-3,4-dimethyl-5-phenyl-2-thiophen-2-yl-1,3-oxazolidin-3-ium?
The canonical SMILES for (2S,4R,5S)-3,4-dimethyl-5-phenyl-2-thiophen-2-yl-1,3-oxazolidin-3-ium is C[C@@H]1[C@H](c2ccccc2)O[C@@H](c2cccs2)[NH+]1C.
What is the InChIKey of (2S,4R,5S)-3,4-dimethyl-5-phenyl-2-thiophen-2-yl-1,3-oxazolidin-3-ium?
The InChIKey is UFDNKBVVFFWGRF-DFBGVHRSSA-O. The full InChI is InChI=1S/C15H17NOS/c1-11-14(12-7-4-3-5-8-12)17-15(16(11)2)13-9-6-10-18-13/h3-11,14-15H,1-2H3/p+1/t11-,14-,15+/m1/s1.
What are the key properties of (2S,4R,5S)-3,4-dimethyl-5-phenyl-2-thiophen-2-yl-1,3-oxazolidin-3-ium?
(2S,4R,5S)-3,4-dimethyl-5-phenyl-2-thiophen-2-yl-1,3-oxazolidin-3-ium has a molecular weight of 260.38 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R,5S)-3,4-dimethyl-5-phenyl-2-thiophen-2-yl-1,3-oxazolidin-3-ium is sourced from PubChem (CID 7074165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).