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

C15H22FN2O5P — CID 71525228

IUPAC(3R,5S)-3-diethoxyphosphoryl-N-(4-fluorophenyl)-2-methyl-1,2-oxazolidine-5-carboxamide
SMILESCCOP(=O)(OCC)[C@@H]1C[C@@H](C(=O)Nc2ccc(F)cc2)ON1C
InChIInChI=1S/C15H22FN2O5P/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+/m0/s1
InChIKeyGCLRKGDBYPDRHM-UONOGXRCSA-N
MW360.32 g/mol
LogP2.99
Rot. Bonds7

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

(3R,5S)-3-diethoxyphosphoryl-N-(4-fluorophenyl)-2-methyl-1,2-oxazolidine-5-carboxamide (PubChem CID 71525228) has the molecular formula C15H22FN2O5P and a molecular weight of 360.32 g/mol. Its IUPAC name is (3R,5S)-3-diethoxyphosphoryl-N-(4-fluorophenyl)-2-methyl-1,2-oxazolidine-5-carboxamide.

Molecular Properties

Compound Name(3R,5S)-3-diethoxyphosphoryl-N-(4-fluorophenyl)-2-methyl-1,2-oxazolidine-5-carboxamide
PubChem CID71525228
Molecular FormulaC15H22FN2O5P
Molecular Weight360.32 g/mol
Exact Mass360.13
IUPAC Name(3R,5S)-3-diethoxyphosphoryl-N-(4-fluorophenyl)-2-methyl-1,2-oxazolidine-5-carboxamide
SMILESCCOP(=O)(OCC)[C@@H]1C[C@@H](C(=O)Nc2ccc(F)cc2)ON1C
InChIInChI=1S/C15H22FN2O5P/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+/m0/s1
InChIKeyGCLRKGDBYPDRHM-UONOGXRCSA-N
XLogP2.99
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.32
LogP ≤ 52.99
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,5S)-3-diethoxyphosphoryl-N-(4-fluorophenyl)-2-methyl-1,2-oxazolidine-5-carboxamide?
The IUPAC name of (3R,5S)-3-diethoxyphosphoryl-N-(4-fluorophenyl)-2-methyl-1,2-oxazolidine-5-carboxamide (CID 71525228) is (3R,5S)-3-diethoxyphosphoryl-N-(4-fluorophenyl)-2-methyl-1,2-oxazolidine-5-carboxamide.
What is the SMILES notation for (3R,5S)-3-diethoxyphosphoryl-N-(4-fluorophenyl)-2-methyl-1,2-oxazolidine-5-carboxamide?
The canonical SMILES for (3R,5S)-3-diethoxyphosphoryl-N-(4-fluorophenyl)-2-methyl-1,2-oxazolidine-5-carboxamide is CCOP(=O)(OCC)[C@@H]1C[C@@H](C(=O)Nc2ccc(F)cc2)ON1C.
What is the InChIKey of (3R,5S)-3-diethoxyphosphoryl-N-(4-fluorophenyl)-2-methyl-1,2-oxazolidine-5-carboxamide?
The InChIKey is GCLRKGDBYPDRHM-UONOGXRCSA-N. The full InChI is InChI=1S/C15H22FN2O5P/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+/m0/s1.
What are the key properties of (3R,5S)-3-diethoxyphosphoryl-N-(4-fluorophenyl)-2-methyl-1,2-oxazolidine-5-carboxamide?
(3R,5S)-3-diethoxyphosphoryl-N-(4-fluorophenyl)-2-methyl-1,2-oxazolidine-5-carboxamide has a molecular weight of 360.32 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-3-diethoxyphosphoryl-N-(4-fluorophenyl)-2-methyl-1,2-oxazolidine-5-carboxamide is sourced from PubChem (CID 71525228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).