(3R,5R)-N-(4-chlorophenyl)-3-diethoxyphosphoryl-2-methyl-1,2-oxazolidine-5-carboxamide

C15H22ClN2O5P — CID 71524675

IUPAC(3R,5R)-N-(4-chlorophenyl)-3-diethoxyphosphoryl-2-methyl-1,2-oxazolidine-5-carboxamide
SMILESCCOP(=O)(OCC)[C@@H]1C[C@H](C(=O)Nc2ccc(Cl)cc2)ON1C
InChIInChI=1S/C15H22ClN2O5P/c1-4-21-24(20,22-5-2)14-10-13(23-18(14)3)15(19)17-12-8-6-11(16)7-9-12/h6-9,13-14H,4-5,10H2,1-3H3,(H,17,19)/t13-,14-/m1/s1
InChIKeyWNNGOPCWCRECEL-ZIAGYGMSSA-N
MW376.78 g/mol
LogP3.51
Rot. Bonds7

About (3R,5R)-N-(4-chlorophenyl)-3-diethoxyphosphoryl-2-methyl-1,2-oxazolidine-5-carboxamide

(3R,5R)-N-(4-chlorophenyl)-3-diethoxyphosphoryl-2-methyl-1,2-oxazolidine-5-carboxamide (PubChem CID 71524675) has the molecular formula C15H22ClN2O5P and a molecular weight of 376.78 g/mol. Its IUPAC name is (3R,5R)-N-(4-chlorophenyl)-3-diethoxyphosphoryl-2-methyl-1,2-oxazolidine-5-carboxamide.

Molecular Properties

Compound Name(3R,5R)-N-(4-chlorophenyl)-3-diethoxyphosphoryl-2-methyl-1,2-oxazolidine-5-carboxamide
PubChem CID71524675
Molecular FormulaC15H22ClN2O5P
Molecular Weight376.78 g/mol
Exact Mass376.10
IUPAC Name(3R,5R)-N-(4-chlorophenyl)-3-diethoxyphosphoryl-2-methyl-1,2-oxazolidine-5-carboxamide
SMILESCCOP(=O)(OCC)[C@@H]1C[C@H](C(=O)Nc2ccc(Cl)cc2)ON1C
InChIInChI=1S/C15H22ClN2O5P/c1-4-21-24(20,22-5-2)14-10-13(23-18(14)3)15(19)17-12-8-6-11(16)7-9-12/h6-9,13-14H,4-5,10H2,1-3H3,(H,17,19)/t13-,14-/m1/s1
InChIKeyWNNGOPCWCRECEL-ZIAGYGMSSA-N
XLogP3.51
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.78
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R,5R)-N-(4-chlorophenyl)-3-diethoxyphosphoryl-2-methyl-1,2-oxazolidine-5-carboxamide?
The IUPAC name of (3R,5R)-N-(4-chlorophenyl)-3-diethoxyphosphoryl-2-methyl-1,2-oxazolidine-5-carboxamide (CID 71524675) is (3R,5R)-N-(4-chlorophenyl)-3-diethoxyphosphoryl-2-methyl-1,2-oxazolidine-5-carboxamide.
What is the SMILES notation for (3R,5R)-N-(4-chlorophenyl)-3-diethoxyphosphoryl-2-methyl-1,2-oxazolidine-5-carboxamide?
The canonical SMILES for (3R,5R)-N-(4-chlorophenyl)-3-diethoxyphosphoryl-2-methyl-1,2-oxazolidine-5-carboxamide is CCOP(=O)(OCC)[C@@H]1C[C@H](C(=O)Nc2ccc(Cl)cc2)ON1C.
What is the InChIKey of (3R,5R)-N-(4-chlorophenyl)-3-diethoxyphosphoryl-2-methyl-1,2-oxazolidine-5-carboxamide?
The InChIKey is WNNGOPCWCRECEL-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H22ClN2O5P/c1-4-21-24(20,22-5-2)14-10-13(23-18(14)3)15(19)17-12-8-6-11(16)7-9-12/h6-9,13-14H,4-5,10H2,1-3H3,(H,17,19)/t13-,14-/m1/s1.
What are the key properties of (3R,5R)-N-(4-chlorophenyl)-3-diethoxyphosphoryl-2-methyl-1,2-oxazolidine-5-carboxamide?
(3R,5R)-N-(4-chlorophenyl)-3-diethoxyphosphoryl-2-methyl-1,2-oxazolidine-5-carboxamide has a molecular weight of 376.78 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-N-(4-chlorophenyl)-3-diethoxyphosphoryl-2-methyl-1,2-oxazolidine-5-carboxamide is sourced from PubChem (CID 71524675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).