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

C15H17NOS — CID 11837460

IUPAC(4R,5S)-3,4-dimethyl-5-phenyl-2-thiophen-2-yl-1,3-oxazolidine
SMILESC[C@@H]1[C@H](c2ccccc2)OC(c2cccs2)N1C
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/t11-,14-,15?/m1/s1
InChIKeyUFDNKBVVFFWGRF-MIHQHQCYSA-N
MW259.37 g/mol
LogP3.84
Rot. Bonds2

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

(4R,5S)-3,4-dimethyl-5-phenyl-2-thiophen-2-yl-1,3-oxazolidine (PubChem CID 11837460) has the molecular formula C15H17NOS and a molecular weight of 259.37 g/mol. Its IUPAC name is (4R,5S)-3,4-dimethyl-5-phenyl-2-thiophen-2-yl-1,3-oxazolidine.

Molecular Properties

Compound Name(4R,5S)-3,4-dimethyl-5-phenyl-2-thiophen-2-yl-1,3-oxazolidine
PubChem CID11837460
Molecular FormulaC15H17NOS
Molecular Weight259.37 g/mol
Exact Mass259.10
IUPAC Name(4R,5S)-3,4-dimethyl-5-phenyl-2-thiophen-2-yl-1,3-oxazolidine
SMILESC[C@@H]1[C@H](c2ccccc2)OC(c2cccs2)N1C
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/t11-,14-,15?/m1/s1
InChIKeyUFDNKBVVFFWGRF-MIHQHQCYSA-N
XLogP3.84
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R,5S)-3,4-dimethyl-5-phenyl-2-thiophen-2-yl-1,3-oxazolidine?
The IUPAC name of (4R,5S)-3,4-dimethyl-5-phenyl-2-thiophen-2-yl-1,3-oxazolidine (CID 11837460) is (4R,5S)-3,4-dimethyl-5-phenyl-2-thiophen-2-yl-1,3-oxazolidine.
What is the SMILES notation for (4R,5S)-3,4-dimethyl-5-phenyl-2-thiophen-2-yl-1,3-oxazolidine?
The canonical SMILES for (4R,5S)-3,4-dimethyl-5-phenyl-2-thiophen-2-yl-1,3-oxazolidine is C[C@@H]1[C@H](c2ccccc2)OC(c2cccs2)N1C.
What is the InChIKey of (4R,5S)-3,4-dimethyl-5-phenyl-2-thiophen-2-yl-1,3-oxazolidine?
The InChIKey is UFDNKBVVFFWGRF-MIHQHQCYSA-N. 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/t11-,14-,15?/m1/s1.
What are the key properties of (4R,5S)-3,4-dimethyl-5-phenyl-2-thiophen-2-yl-1,3-oxazolidine?
(4R,5S)-3,4-dimethyl-5-phenyl-2-thiophen-2-yl-1,3-oxazolidine has a molecular weight of 259.37 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-3,4-dimethyl-5-phenyl-2-thiophen-2-yl-1,3-oxazolidine is sourced from PubChem (CID 11837460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).