(2R,5R)-5-(chloromethyl)-2,3-diphenyl-1,3-oxazolidine

C16H16ClNO — CID 95561817

IUPAC(2R,5R)-5-(chloromethyl)-2,3-diphenyl-1,3-oxazolidine
SMILESClC[C@H]1CN(c2ccccc2)[C@@H](c2ccccc2)O1
InChIInChI=1S/C16H16ClNO/c17-11-15-12-18(14-9-5-2-6-10-14)16(19-15)13-7-3-1-4-8-13/h1-10,15-16H,11-12H2/t15-,16+/m0/s1
InChIKeyZPFDYYPRWQDRTQ-JKSUJKDBSA-N
MW273.76 g/mol
LogP3.83
Rot. Bonds3

About (2R,5R)-5-(chloromethyl)-2,3-diphenyl-1,3-oxazolidine

(2R,5R)-5-(chloromethyl)-2,3-diphenyl-1,3-oxazolidine (PubChem CID 95561817) has the molecular formula C16H16ClNO and a molecular weight of 273.76 g/mol. Its IUPAC name is (2R,5R)-5-(chloromethyl)-2,3-diphenyl-1,3-oxazolidine.

Molecular Properties

Compound Name(2R,5R)-5-(chloromethyl)-2,3-diphenyl-1,3-oxazolidine
PubChem CID95561817
Molecular FormulaC16H16ClNO
Molecular Weight273.76 g/mol
Exact Mass273.09
IUPAC Name(2R,5R)-5-(chloromethyl)-2,3-diphenyl-1,3-oxazolidine
SMILESClC[C@H]1CN(c2ccccc2)[C@@H](c2ccccc2)O1
InChIInChI=1S/C16H16ClNO/c17-11-15-12-18(14-9-5-2-6-10-14)16(19-15)13-7-3-1-4-8-13/h1-10,15-16H,11-12H2/t15-,16+/m0/s1
InChIKeyZPFDYYPRWQDRTQ-JKSUJKDBSA-N
XLogP3.83
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,5R)-5-(chloromethyl)-2,3-diphenyl-1,3-oxazolidine?
The IUPAC name of (2R,5R)-5-(chloromethyl)-2,3-diphenyl-1,3-oxazolidine (CID 95561817) is (2R,5R)-5-(chloromethyl)-2,3-diphenyl-1,3-oxazolidine.
What is the SMILES notation for (2R,5R)-5-(chloromethyl)-2,3-diphenyl-1,3-oxazolidine?
The canonical SMILES for (2R,5R)-5-(chloromethyl)-2,3-diphenyl-1,3-oxazolidine is ClC[C@H]1CN(c2ccccc2)[C@@H](c2ccccc2)O1.
What is the InChIKey of (2R,5R)-5-(chloromethyl)-2,3-diphenyl-1,3-oxazolidine?
The InChIKey is ZPFDYYPRWQDRTQ-JKSUJKDBSA-N. The full InChI is InChI=1S/C16H16ClNO/c17-11-15-12-18(14-9-5-2-6-10-14)16(19-15)13-7-3-1-4-8-13/h1-10,15-16H,11-12H2/t15-,16+/m0/s1.
What are the key properties of (2R,5R)-5-(chloromethyl)-2,3-diphenyl-1,3-oxazolidine?
(2R,5R)-5-(chloromethyl)-2,3-diphenyl-1,3-oxazolidine has a molecular weight of 273.76 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-5-(chloromethyl)-2,3-diphenyl-1,3-oxazolidine is sourced from PubChem (CID 95561817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).