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

C18H21NO2 — CID 100914316

IUPAC(3S,5R)-2-benzyl-5-ethoxy-3-phenyl-1,2-oxazolidine
SMILESCCO[C@H]1C[C@@H](c2ccccc2)N(Cc2ccccc2)O1
InChIInChI=1S/C18H21NO2/c1-2-20-18-13-17(16-11-7-4-8-12-16)19(21-18)14-15-9-5-3-6-10-15/h3-12,17-18H,2,13-14H2,1H3/t17-,18+/m0/s1
InChIKeyPJFDRGDLVQUXCQ-ZWKOTPCHSA-N
MW283.37 g/mol
LogP3.93
Rot. Bonds5

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

(3S,5R)-2-benzyl-5-ethoxy-3-phenyl-1,2-oxazolidine (PubChem CID 100914316) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is (3S,5R)-2-benzyl-5-ethoxy-3-phenyl-1,2-oxazolidine.

Molecular Properties

Compound Name(3S,5R)-2-benzyl-5-ethoxy-3-phenyl-1,2-oxazolidine
PubChem CID100914316
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name(3S,5R)-2-benzyl-5-ethoxy-3-phenyl-1,2-oxazolidine
SMILESCCO[C@H]1C[C@@H](c2ccccc2)N(Cc2ccccc2)O1
InChIInChI=1S/C18H21NO2/c1-2-20-18-13-17(16-11-7-4-8-12-16)19(21-18)14-15-9-5-3-6-10-15/h3-12,17-18H,2,13-14H2,1H3/t17-,18+/m0/s1
InChIKeyPJFDRGDLVQUXCQ-ZWKOTPCHSA-N
XLogP3.93
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,5R)-2-benzyl-5-ethoxy-3-phenyl-1,2-oxazolidine?
The IUPAC name of (3S,5R)-2-benzyl-5-ethoxy-3-phenyl-1,2-oxazolidine (CID 100914316) is (3S,5R)-2-benzyl-5-ethoxy-3-phenyl-1,2-oxazolidine.
What is the SMILES notation for (3S,5R)-2-benzyl-5-ethoxy-3-phenyl-1,2-oxazolidine?
The canonical SMILES for (3S,5R)-2-benzyl-5-ethoxy-3-phenyl-1,2-oxazolidine is CCO[C@H]1C[C@@H](c2ccccc2)N(Cc2ccccc2)O1.
What is the InChIKey of (3S,5R)-2-benzyl-5-ethoxy-3-phenyl-1,2-oxazolidine?
The InChIKey is PJFDRGDLVQUXCQ-ZWKOTPCHSA-N. The full InChI is InChI=1S/C18H21NO2/c1-2-20-18-13-17(16-11-7-4-8-12-16)19(21-18)14-15-9-5-3-6-10-15/h3-12,17-18H,2,13-14H2,1H3/t17-,18+/m0/s1.
What are the key properties of (3S,5R)-2-benzyl-5-ethoxy-3-phenyl-1,2-oxazolidine?
(3S,5R)-2-benzyl-5-ethoxy-3-phenyl-1,2-oxazolidine has a molecular weight of 283.37 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-2-benzyl-5-ethoxy-3-phenyl-1,2-oxazolidine is sourced from PubChem (CID 100914316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).