(2S,4S,5R)-3,4-dimethyl-5-phenyl-2-[(E)-2-phenylethenyl]-1,3-oxazolidine

C19H21NO — CID 13068826

IUPAC(2S,4S,5R)-3,4-dimethyl-5-phenyl-2-[(E)-2-phenylethenyl]-1,3-oxazolidine
SMILESC[C@H]1[C@@H](c2ccccc2)O[C@@H](/C=C/c2ccccc2)N1C
InChIInChI=1S/C19H21NO/c1-15-19(17-11-7-4-8-12-17)21-18(20(15)2)14-13-16-9-5-3-6-10-16/h3-15,18-19H,1-2H3/b14-13+/t15-,18-,19-/m0/s1
InChIKeyHRKJDOYBJIQUCE-VAQCLQQUSA-N
MW279.38 g/mol
LogP4.12
Rot. Bonds3

About (2S,4S,5R)-3,4-dimethyl-5-phenyl-2-[(E)-2-phenylethenyl]-1,3-oxazolidine

(2S,4S,5R)-3,4-dimethyl-5-phenyl-2-[(E)-2-phenylethenyl]-1,3-oxazolidine (PubChem CID 13068826) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is (2S,4S,5R)-3,4-dimethyl-5-phenyl-2-[(E)-2-phenylethenyl]-1,3-oxazolidine.

Molecular Properties

Compound Name(2S,4S,5R)-3,4-dimethyl-5-phenyl-2-[(E)-2-phenylethenyl]-1,3-oxazolidine
PubChem CID13068826
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name(2S,4S,5R)-3,4-dimethyl-5-phenyl-2-[(E)-2-phenylethenyl]-1,3-oxazolidine
SMILESC[C@H]1[C@@H](c2ccccc2)O[C@@H](/C=C/c2ccccc2)N1C
InChIInChI=1S/C19H21NO/c1-15-19(17-11-7-4-8-12-17)21-18(20(15)2)14-13-16-9-5-3-6-10-16/h3-15,18-19H,1-2H3/b14-13+/t15-,18-,19-/m0/s1
InChIKeyHRKJDOYBJIQUCE-VAQCLQQUSA-N
XLogP4.12
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,4S,5R)-3,4-dimethyl-5-phenyl-2-[(E)-2-phenylethenyl]-1,3-oxazolidine?
The IUPAC name of (2S,4S,5R)-3,4-dimethyl-5-phenyl-2-[(E)-2-phenylethenyl]-1,3-oxazolidine (CID 13068826) is (2S,4S,5R)-3,4-dimethyl-5-phenyl-2-[(E)-2-phenylethenyl]-1,3-oxazolidine.
What is the SMILES notation for (2S,4S,5R)-3,4-dimethyl-5-phenyl-2-[(E)-2-phenylethenyl]-1,3-oxazolidine?
The canonical SMILES for (2S,4S,5R)-3,4-dimethyl-5-phenyl-2-[(E)-2-phenylethenyl]-1,3-oxazolidine is C[C@H]1[C@@H](c2ccccc2)O[C@@H](/C=C/c2ccccc2)N1C.
What is the InChIKey of (2S,4S,5R)-3,4-dimethyl-5-phenyl-2-[(E)-2-phenylethenyl]-1,3-oxazolidine?
The InChIKey is HRKJDOYBJIQUCE-VAQCLQQUSA-N. The full InChI is InChI=1S/C19H21NO/c1-15-19(17-11-7-4-8-12-17)21-18(20(15)2)14-13-16-9-5-3-6-10-16/h3-15,18-19H,1-2H3/b14-13+/t15-,18-,19-/m0/s1.
What are the key properties of (2S,4S,5R)-3,4-dimethyl-5-phenyl-2-[(E)-2-phenylethenyl]-1,3-oxazolidine?
(2S,4S,5R)-3,4-dimethyl-5-phenyl-2-[(E)-2-phenylethenyl]-1,3-oxazolidine has a molecular weight of 279.38 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S,5R)-3,4-dimethyl-5-phenyl-2-[(E)-2-phenylethenyl]-1,3-oxazolidine is sourced from PubChem (CID 13068826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).