(2R,4R)-3-benzyl-4-phenyl-2-thiophen-2-yl-1,3-oxazolidine

C20H19NOS — CID 11782223

IUPAC(2R,4R)-3-benzyl-4-phenyl-2-thiophen-2-yl-1,3-oxazolidine
SMILESc1ccc(CN2[C@@H](c3cccs3)OC[C@H]2c2ccccc2)cc1
InChIInChI=1S/C20H19NOS/c1-3-8-16(9-4-1)14-21-18(17-10-5-2-6-11-17)15-22-20(21)19-12-7-13-23-19/h1-13,18,20H,14-15H2/t18-,20+/m0/s1
InChIKeyLIKZMIKYRDHXCC-AZUAARDMSA-N
MW321.45 g/mol
LogP5.02
Rot. Bonds4

About (2R,4R)-3-benzyl-4-phenyl-2-thiophen-2-yl-1,3-oxazolidine

(2R,4R)-3-benzyl-4-phenyl-2-thiophen-2-yl-1,3-oxazolidine (PubChem CID 11782223) has the molecular formula C20H19NOS and a molecular weight of 321.45 g/mol. Its IUPAC name is (2R,4R)-3-benzyl-4-phenyl-2-thiophen-2-yl-1,3-oxazolidine.

Molecular Properties

Compound Name(2R,4R)-3-benzyl-4-phenyl-2-thiophen-2-yl-1,3-oxazolidine
PubChem CID11782223
Molecular FormulaC20H19NOS
Molecular Weight321.45 g/mol
Exact Mass321.12
IUPAC Name(2R,4R)-3-benzyl-4-phenyl-2-thiophen-2-yl-1,3-oxazolidine
SMILESc1ccc(CN2[C@@H](c3cccs3)OC[C@H]2c2ccccc2)cc1
InChIInChI=1S/C20H19NOS/c1-3-8-16(9-4-1)14-21-18(17-10-5-2-6-11-17)15-22-20(21)19-12-7-13-23-19/h1-13,18,20H,14-15H2/t18-,20+/m0/s1
InChIKeyLIKZMIKYRDHXCC-AZUAARDMSA-N
XLogP5.02
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.45
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2R,4R)-3-benzyl-4-phenyl-2-thiophen-2-yl-1,3-oxazolidine with MolForge

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Related Compounds

(4R)-3-benzhydryl-4-phenyl-2-thiophen-2-yl-1,3-oxazolidine
CID 10408518
(2R,3S,5S)-4-benzyl-2,3-dimethyl-5-phenylmorpholine
CID 140974143
(2R,4R)-3-benzyl-4-phenyl-2-(2-phenylethyl)-1,3-oxazolidine
CID 11067883
(5S,7S)-4-benzyl-7-phenyl-5-thiophen-2-yl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidine
CID 92715298
dimethyl (2R,5R)-1-benzyl-2-phenyl-5-thiophen-2-ylpyrrolidine-3,3-dicarboxylate
CID 11553860
1-benzyl-5-thiophen-2-yl-4,5-dihydroimidazol-2-amine
CID 79506524
2-benzyl-6-thiophen-2-yl-1,4-dioxane
CID 91313450
(5R)-4-benzyl-5-phenyl-3-propylmorpholin-2-one
CID 102009380
(3R,8aR)-7-benzyl-3-phenyl-1,3,6,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-5,8-dione
CID 101131885
(2R)-N-benzyl-2-thiophen-2-ylazepane-1-carboxamide
CID 92503180
methyl (3R,4S)-2-benzyl-3-thiophen-2-yl-1,2-oxazolidine-4-carboxylate
CID 15441051
(2S,3R)-2-benzyl-3-thiophen-2-yloxirane
CID 134996090

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-3-benzyl-4-phenyl-2-thiophen-2-yl-1,3-oxazolidine?
The IUPAC name of (2R,4R)-3-benzyl-4-phenyl-2-thiophen-2-yl-1,3-oxazolidine (CID 11782223) is (2R,4R)-3-benzyl-4-phenyl-2-thiophen-2-yl-1,3-oxazolidine.
What is the SMILES notation for (2R,4R)-3-benzyl-4-phenyl-2-thiophen-2-yl-1,3-oxazolidine?
The canonical SMILES for (2R,4R)-3-benzyl-4-phenyl-2-thiophen-2-yl-1,3-oxazolidine is c1ccc(CN2[C@@H](c3cccs3)OC[C@H]2c2ccccc2)cc1.
What is the InChIKey of (2R,4R)-3-benzyl-4-phenyl-2-thiophen-2-yl-1,3-oxazolidine?
The InChIKey is LIKZMIKYRDHXCC-AZUAARDMSA-N. The full InChI is InChI=1S/C20H19NOS/c1-3-8-16(9-4-1)14-21-18(17-10-5-2-6-11-17)15-22-20(21)19-12-7-13-23-19/h1-13,18,20H,14-15H2/t18-,20+/m0/s1.
What are the key properties of (2R,4R)-3-benzyl-4-phenyl-2-thiophen-2-yl-1,3-oxazolidine?
(2R,4R)-3-benzyl-4-phenyl-2-thiophen-2-yl-1,3-oxazolidine has a molecular weight of 321.45 g/mol, XLogP of 5.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-3-benzyl-4-phenyl-2-thiophen-2-yl-1,3-oxazolidine is sourced from PubChem (CID 11782223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).