(2R,4S,5R)-2-[(S)-fluoro(phenyl)methyl]-3,4-dimethyl-5-phenyl-1,3,2λ5-oxazaphospholidine 2-oxide

C17H19FNO2P — CID 10829422

IUPAC(2R,4S,5R)-2-[(S)-fluoro(phenyl)methyl]-3,4-dimethyl-5-phenyl-1,3,2λ5-oxazaphospholidine 2-oxide
SMILESC[C@H]1[C@@H](c2ccccc2)O[P@](=O)([C@H](F)c2ccccc2)N1C
InChIInChI=1S/C17H19FNO2P/c1-13-16(14-9-5-3-6-10-14)21-22(20,19(13)2)17(18)15-11-7-4-8-12-15/h3-13,16-17H,1-2H3/t13-,16-,17-,22+/m0/s1
InChIKeyCYLPWNDVNBQKLL-ROWOMKEUSA-N
MW319.32 g/mol
LogP4.94
Rot. Bonds3

About (2R,4S,5R)-2-[(S)-fluoro(phenyl)methyl]-3,4-dimethyl-5-phenyl-1,3,2λ5-oxazaphospholidine 2-oxide

(2R,4S,5R)-2-[(S)-fluoro(phenyl)methyl]-3,4-dimethyl-5-phenyl-1,3,2λ5-oxazaphospholidine 2-oxide (PubChem CID 10829422) has the molecular formula C17H19FNO2P and a molecular weight of 319.32 g/mol. Its IUPAC name is (2R,4S,5R)-2-[(S)-fluoro(phenyl)methyl]-3,4-dimethyl-5-phenyl-1,3,2λ5-oxazaphospholidine 2-oxide.

Molecular Properties

Compound Name(2R,4S,5R)-2-[(S)-fluoro(phenyl)methyl]-3,4-dimethyl-5-phenyl-1,3,2λ5-oxazaphospholidine 2-oxide
PubChem CID10829422
Molecular FormulaC17H19FNO2P
Molecular Weight319.32 g/mol
Exact Mass319.11
IUPAC Name(2R,4S,5R)-2-[(S)-fluoro(phenyl)methyl]-3,4-dimethyl-5-phenyl-1,3,2λ5-oxazaphospholidine 2-oxide
SMILESC[C@H]1[C@@H](c2ccccc2)O[P@](=O)([C@H](F)c2ccccc2)N1C
InChIInChI=1S/C17H19FNO2P/c1-13-16(14-9-5-3-6-10-14)21-22(20,19(13)2)17(18)15-11-7-4-8-12-15/h3-13,16-17H,1-2H3/t13-,16-,17-,22+/m0/s1
InChIKeyCYLPWNDVNBQKLL-ROWOMKEUSA-N
XLogP4.94
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2R,4S,5R)-2-[(S)-fluoro(phenyl)methyl]-3,4-dimethyl-5-phenyl-1,3,2λ5-oxazaphospholidine 2-oxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,4S,5R)-2-[(S)-fluoro(phenyl)methyl]-3,4-dimethyl-5-phenyl-1,3,2λ5-oxazaphospholidine 2-oxide?
The IUPAC name of (2R,4S,5R)-2-[(S)-fluoro(phenyl)methyl]-3,4-dimethyl-5-phenyl-1,3,2λ5-oxazaphospholidine 2-oxide (CID 10829422) is (2R,4S,5R)-2-[(S)-fluoro(phenyl)methyl]-3,4-dimethyl-5-phenyl-1,3,2λ5-oxazaphospholidine 2-oxide.
What is the SMILES notation for (2R,4S,5R)-2-[(S)-fluoro(phenyl)methyl]-3,4-dimethyl-5-phenyl-1,3,2λ5-oxazaphospholidine 2-oxide?
The canonical SMILES for (2R,4S,5R)-2-[(S)-fluoro(phenyl)methyl]-3,4-dimethyl-5-phenyl-1,3,2λ5-oxazaphospholidine 2-oxide is C[C@H]1[C@@H](c2ccccc2)O[P@](=O)([C@H](F)c2ccccc2)N1C.
What is the InChIKey of (2R,4S,5R)-2-[(S)-fluoro(phenyl)methyl]-3,4-dimethyl-5-phenyl-1,3,2λ5-oxazaphospholidine 2-oxide?
The InChIKey is CYLPWNDVNBQKLL-ROWOMKEUSA-N. The full InChI is InChI=1S/C17H19FNO2P/c1-13-16(14-9-5-3-6-10-14)21-22(20,19(13)2)17(18)15-11-7-4-8-12-15/h3-13,16-17H,1-2H3/t13-,16-,17-,22+/m0/s1.
What are the key properties of (2R,4S,5R)-2-[(S)-fluoro(phenyl)methyl]-3,4-dimethyl-5-phenyl-1,3,2λ5-oxazaphospholidine 2-oxide?
(2R,4S,5R)-2-[(S)-fluoro(phenyl)methyl]-3,4-dimethyl-5-phenyl-1,3,2λ5-oxazaphospholidine 2-oxide has a molecular weight of 319.32 g/mol, XLogP of 4.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,5R)-2-[(S)-fluoro(phenyl)methyl]-3,4-dimethyl-5-phenyl-1,3,2λ5-oxazaphospholidine 2-oxide is sourced from PubChem (CID 10829422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).