(3R,5R)-2-(4-chlorophenyl)-5-ethoxy-3-thiophen-2-yl-1,2-oxazolidine

C15H16ClNO2S — CID 24854459

IUPAC(3R,5R)-2-(4-chlorophenyl)-5-ethoxy-3-thiophen-2-yl-1,2-oxazolidine
SMILESCCO[C@H]1C[C@H](c2cccs2)N(c2ccc(Cl)cc2)O1
InChIInChI=1S/C15H16ClNO2S/c1-2-18-15-10-13(14-4-3-9-20-14)17(19-15)12-7-5-11(16)6-8-12/h3-9,13,15H,2,10H2,1H3/t13-,15-/m1/s1
InChIKeyKNXFGKOYYDKXAJ-UKRRQHHQSA-N
MW309.82 g/mol
LogP4.65
Rot. Bonds4

About (3R,5R)-2-(4-chlorophenyl)-5-ethoxy-3-thiophen-2-yl-1,2-oxazolidine

(3R,5R)-2-(4-chlorophenyl)-5-ethoxy-3-thiophen-2-yl-1,2-oxazolidine (PubChem CID 24854459) has the molecular formula C15H16ClNO2S and a molecular weight of 309.82 g/mol. Its IUPAC name is (3R,5R)-2-(4-chlorophenyl)-5-ethoxy-3-thiophen-2-yl-1,2-oxazolidine.

Molecular Properties

Compound Name(3R,5R)-2-(4-chlorophenyl)-5-ethoxy-3-thiophen-2-yl-1,2-oxazolidine
PubChem CID24854459
Molecular FormulaC15H16ClNO2S
Molecular Weight309.82 g/mol
Exact Mass309.06
IUPAC Name(3R,5R)-2-(4-chlorophenyl)-5-ethoxy-3-thiophen-2-yl-1,2-oxazolidine
SMILESCCO[C@H]1C[C@H](c2cccs2)N(c2ccc(Cl)cc2)O1
InChIInChI=1S/C15H16ClNO2S/c1-2-18-15-10-13(14-4-3-9-20-14)17(19-15)12-7-5-11(16)6-8-12/h3-9,13,15H,2,10H2,1H3/t13-,15-/m1/s1
InChIKeyKNXFGKOYYDKXAJ-UKRRQHHQSA-N
XLogP4.65
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.82
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,5R)-2-(4-chlorophenyl)-5-ethoxy-3-thiophen-2-yl-1,2-oxazolidine?
The IUPAC name of (3R,5R)-2-(4-chlorophenyl)-5-ethoxy-3-thiophen-2-yl-1,2-oxazolidine (CID 24854459) is (3R,5R)-2-(4-chlorophenyl)-5-ethoxy-3-thiophen-2-yl-1,2-oxazolidine.
What is the SMILES notation for (3R,5R)-2-(4-chlorophenyl)-5-ethoxy-3-thiophen-2-yl-1,2-oxazolidine?
The canonical SMILES for (3R,5R)-2-(4-chlorophenyl)-5-ethoxy-3-thiophen-2-yl-1,2-oxazolidine is CCO[C@H]1C[C@H](c2cccs2)N(c2ccc(Cl)cc2)O1.
What is the InChIKey of (3R,5R)-2-(4-chlorophenyl)-5-ethoxy-3-thiophen-2-yl-1,2-oxazolidine?
The InChIKey is KNXFGKOYYDKXAJ-UKRRQHHQSA-N. The full InChI is InChI=1S/C15H16ClNO2S/c1-2-18-15-10-13(14-4-3-9-20-14)17(19-15)12-7-5-11(16)6-8-12/h3-9,13,15H,2,10H2,1H3/t13-,15-/m1/s1.
What are the key properties of (3R,5R)-2-(4-chlorophenyl)-5-ethoxy-3-thiophen-2-yl-1,2-oxazolidine?
(3R,5R)-2-(4-chlorophenyl)-5-ethoxy-3-thiophen-2-yl-1,2-oxazolidine has a molecular weight of 309.82 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-2-(4-chlorophenyl)-5-ethoxy-3-thiophen-2-yl-1,2-oxazolidine is sourced from PubChem (CID 24854459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).