(3R,5S)-3-(4-chlorophenyl)-5-ethoxy-2-phenyl-1,2-oxazolidine

C17H18ClNO2 — CID 11748710

IUPAC(3R,5S)-3-(4-chlorophenyl)-5-ethoxy-2-phenyl-1,2-oxazolidine
SMILESCCO[C@@H]1C[C@H](c2ccc(Cl)cc2)N(c2ccccc2)O1
InChIInChI=1S/C17H18ClNO2/c1-2-20-17-12-16(13-8-10-14(18)11-9-13)19(21-17)15-6-4-3-5-7-15/h3-11,16-17H,2,12H2,1H3/t16-,17+/m1/s1
InChIKeyOTSXKODAOPIBMO-SJORKVTESA-N
MW303.79 g/mol
LogP4.59
Rot. Bonds4

About (3R,5S)-3-(4-chlorophenyl)-5-ethoxy-2-phenyl-1,2-oxazolidine

(3R,5S)-3-(4-chlorophenyl)-5-ethoxy-2-phenyl-1,2-oxazolidine (PubChem CID 11748710) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is (3R,5S)-3-(4-chlorophenyl)-5-ethoxy-2-phenyl-1,2-oxazolidine.

Molecular Properties

Compound Name(3R,5S)-3-(4-chlorophenyl)-5-ethoxy-2-phenyl-1,2-oxazolidine
PubChem CID11748710
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC Name(3R,5S)-3-(4-chlorophenyl)-5-ethoxy-2-phenyl-1,2-oxazolidine
SMILESCCO[C@@H]1C[C@H](c2ccc(Cl)cc2)N(c2ccccc2)O1
InChIInChI=1S/C17H18ClNO2/c1-2-20-17-12-16(13-8-10-14(18)11-9-13)19(21-17)15-6-4-3-5-7-15/h3-11,16-17H,2,12H2,1H3/t16-,17+/m1/s1
InChIKeyOTSXKODAOPIBMO-SJORKVTESA-N
XLogP4.59
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,5S)-3-(4-chlorophenyl)-5-ethoxy-2-phenyl-1,2-oxazolidine?
The IUPAC name of (3R,5S)-3-(4-chlorophenyl)-5-ethoxy-2-phenyl-1,2-oxazolidine (CID 11748710) is (3R,5S)-3-(4-chlorophenyl)-5-ethoxy-2-phenyl-1,2-oxazolidine.
What is the SMILES notation for (3R,5S)-3-(4-chlorophenyl)-5-ethoxy-2-phenyl-1,2-oxazolidine?
The canonical SMILES for (3R,5S)-3-(4-chlorophenyl)-5-ethoxy-2-phenyl-1,2-oxazolidine is CCO[C@@H]1C[C@H](c2ccc(Cl)cc2)N(c2ccccc2)O1.
What is the InChIKey of (3R,5S)-3-(4-chlorophenyl)-5-ethoxy-2-phenyl-1,2-oxazolidine?
The InChIKey is OTSXKODAOPIBMO-SJORKVTESA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-2-20-17-12-16(13-8-10-14(18)11-9-13)19(21-17)15-6-4-3-5-7-15/h3-11,16-17H,2,12H2,1H3/t16-,17+/m1/s1.
What are the key properties of (3R,5S)-3-(4-chlorophenyl)-5-ethoxy-2-phenyl-1,2-oxazolidine?
(3R,5S)-3-(4-chlorophenyl)-5-ethoxy-2-phenyl-1,2-oxazolidine has a molecular weight of 303.79 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-3-(4-chlorophenyl)-5-ethoxy-2-phenyl-1,2-oxazolidine is sourced from PubChem (CID 11748710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).