(5R)-5-(phenoxymethyl)-N,3-diphenyl-1,3-oxazolidin-2-imine

C22H20N2O2 — CID 910881

IUPAC(5R)-5-(phenoxymethyl)-N,3-diphenyl-1,3-oxazolidin-2-imine
SMILESc1ccc(/N=C2\O[C@@H](COc3ccccc3)CN2c2ccccc2)cc1
InChIInChI=1S/C22H20N2O2/c1-4-10-18(11-5-1)23-22-24(19-12-6-2-7-13-19)16-21(26-22)17-25-20-14-8-3-9-15-20/h1-15,21H,16-17H2/b23-22-/t21-/m1/s1
InChIKeyOYWOXRIHKJOTHN-XSSWQJIQSA-N
MW344.41 g/mol
LogP4.66
Rot. Bonds5

About (5R)-5-(phenoxymethyl)-N,3-diphenyl-1,3-oxazolidin-2-imine

(5R)-5-(phenoxymethyl)-N,3-diphenyl-1,3-oxazolidin-2-imine (PubChem CID 910881) has the molecular formula C22H20N2O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is (5R)-5-(phenoxymethyl)-N,3-diphenyl-1,3-oxazolidin-2-imine.

Molecular Properties

Compound Name(5R)-5-(phenoxymethyl)-N,3-diphenyl-1,3-oxazolidin-2-imine
PubChem CID910881
Molecular FormulaC22H20N2O2
Molecular Weight344.41 g/mol
Exact Mass344.15
IUPAC Name(5R)-5-(phenoxymethyl)-N,3-diphenyl-1,3-oxazolidin-2-imine
SMILESc1ccc(/N=C2\O[C@@H](COc3ccccc3)CN2c2ccccc2)cc1
InChIInChI=1S/C22H20N2O2/c1-4-10-18(11-5-1)23-22-24(19-12-6-2-7-13-19)16-21(26-22)17-25-20-14-8-3-9-15-20/h1-15,21H,16-17H2/b23-22-/t21-/m1/s1
InChIKeyOYWOXRIHKJOTHN-XSSWQJIQSA-N
XLogP4.66
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-(phenoxymethyl)-N,3-diphenyl-1,3-oxazolidin-2-imine?
The IUPAC name of (5R)-5-(phenoxymethyl)-N,3-diphenyl-1,3-oxazolidin-2-imine (CID 910881) is (5R)-5-(phenoxymethyl)-N,3-diphenyl-1,3-oxazolidin-2-imine.
What is the SMILES notation for (5R)-5-(phenoxymethyl)-N,3-diphenyl-1,3-oxazolidin-2-imine?
The canonical SMILES for (5R)-5-(phenoxymethyl)-N,3-diphenyl-1,3-oxazolidin-2-imine is c1ccc(/N=C2\O[C@@H](COc3ccccc3)CN2c2ccccc2)cc1.
What is the InChIKey of (5R)-5-(phenoxymethyl)-N,3-diphenyl-1,3-oxazolidin-2-imine?
The InChIKey is OYWOXRIHKJOTHN-XSSWQJIQSA-N. The full InChI is InChI=1S/C22H20N2O2/c1-4-10-18(11-5-1)23-22-24(19-12-6-2-7-13-19)16-21(26-22)17-25-20-14-8-3-9-15-20/h1-15,21H,16-17H2/b23-22-/t21-/m1/s1.
What are the key properties of (5R)-5-(phenoxymethyl)-N,3-diphenyl-1,3-oxazolidin-2-imine?
(5R)-5-(phenoxymethyl)-N,3-diphenyl-1,3-oxazolidin-2-imine has a molecular weight of 344.41 g/mol, XLogP of 4.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(phenoxymethyl)-N,3-diphenyl-1,3-oxazolidin-2-imine is sourced from PubChem (CID 910881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).