(3S,5R)-5-(2-chlorophenyl)-3-diethoxyphosphoryl-2-methyl-1,2-oxazolidine

C14H21ClNO4P — CID 72946058

IUPAC(3S,5R)-5-(2-chlorophenyl)-3-diethoxyphosphoryl-2-methyl-1,2-oxazolidine
SMILESCCOP(=O)(OCC)[C@H]1C[C@H](c2ccccc2Cl)ON1C
InChIInChI=1S/C14H21ClNO4P/c1-4-18-21(17,19-5-2)14-10-13(20-16(14)3)11-8-6-7-9-12(11)15/h6-9,13-14H,4-5,10H2,1-3H3/t13-,14+/m1/s1
InChIKeyOGPMJGHNGUGWRR-KGLIPLIRSA-N
MW333.75 g/mol
LogP4.24
Rot. Bonds6

About (3S,5R)-5-(2-chlorophenyl)-3-diethoxyphosphoryl-2-methyl-1,2-oxazolidine

(3S,5R)-5-(2-chlorophenyl)-3-diethoxyphosphoryl-2-methyl-1,2-oxazolidine (PubChem CID 72946058) has the molecular formula C14H21ClNO4P and a molecular weight of 333.75 g/mol. Its IUPAC name is (3S,5R)-5-(2-chlorophenyl)-3-diethoxyphosphoryl-2-methyl-1,2-oxazolidine.

Molecular Properties

Compound Name(3S,5R)-5-(2-chlorophenyl)-3-diethoxyphosphoryl-2-methyl-1,2-oxazolidine
PubChem CID72946058
Molecular FormulaC14H21ClNO4P
Molecular Weight333.75 g/mol
Exact Mass333.09
IUPAC Name(3S,5R)-5-(2-chlorophenyl)-3-diethoxyphosphoryl-2-methyl-1,2-oxazolidine
SMILESCCOP(=O)(OCC)[C@H]1C[C@H](c2ccccc2Cl)ON1C
InChIInChI=1S/C14H21ClNO4P/c1-4-18-21(17,19-5-2)14-10-13(20-16(14)3)11-8-6-7-9-12(11)15/h6-9,13-14H,4-5,10H2,1-3H3/t13-,14+/m1/s1
InChIKeyOGPMJGHNGUGWRR-KGLIPLIRSA-N
XLogP4.24
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.75
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S,5R)-5-(2-chlorophenyl)-3-diethoxyphosphoryl-2-methyl-1,2-oxazolidine?
The IUPAC name of (3S,5R)-5-(2-chlorophenyl)-3-diethoxyphosphoryl-2-methyl-1,2-oxazolidine (CID 72946058) is (3S,5R)-5-(2-chlorophenyl)-3-diethoxyphosphoryl-2-methyl-1,2-oxazolidine.
What is the SMILES notation for (3S,5R)-5-(2-chlorophenyl)-3-diethoxyphosphoryl-2-methyl-1,2-oxazolidine?
The canonical SMILES for (3S,5R)-5-(2-chlorophenyl)-3-diethoxyphosphoryl-2-methyl-1,2-oxazolidine is CCOP(=O)(OCC)[C@H]1C[C@H](c2ccccc2Cl)ON1C.
What is the InChIKey of (3S,5R)-5-(2-chlorophenyl)-3-diethoxyphosphoryl-2-methyl-1,2-oxazolidine?
The InChIKey is OGPMJGHNGUGWRR-KGLIPLIRSA-N. The full InChI is InChI=1S/C14H21ClNO4P/c1-4-18-21(17,19-5-2)14-10-13(20-16(14)3)11-8-6-7-9-12(11)15/h6-9,13-14H,4-5,10H2,1-3H3/t13-,14+/m1/s1.
What are the key properties of (3S,5R)-5-(2-chlorophenyl)-3-diethoxyphosphoryl-2-methyl-1,2-oxazolidine?
(3S,5R)-5-(2-chlorophenyl)-3-diethoxyphosphoryl-2-methyl-1,2-oxazolidine has a molecular weight of 333.75 g/mol, XLogP of 4.24, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-5-(2-chlorophenyl)-3-diethoxyphosphoryl-2-methyl-1,2-oxazolidine is sourced from PubChem (CID 72946058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).