(4S,5S)-2-chloro-4-methyl-5-phenyl-1,3,2λ5-oxazaphospholidine 2-oxide

C9H11ClNO2P — CID 134895441

IUPAC(4S,5S)-2-chloro-4-methyl-5-phenyl-1,3,2λ5-oxazaphospholidine 2-oxide
SMILESC[C@@H]1NP(=O)(Cl)O[C@H]1c1ccccc1
InChIInChI=1S/C9H11ClNO2P/c1-7-9(13-14(10,12)11-7)8-5-3-2-4-6-8/h2-7,9H,1H3,(H,11,12)/t7-,9+,14?/m0/s1
InChIKeyMWSBRWZKJOTDBO-ADKJUTMJSA-N
MW231.62 g/mol
LogP3.08
Rot. Bonds1

About (4S,5S)-2-chloro-4-methyl-5-phenyl-1,3,2λ5-oxazaphospholidine 2-oxide

(4S,5S)-2-chloro-4-methyl-5-phenyl-1,3,2λ5-oxazaphospholidine 2-oxide (PubChem CID 134895441) has the molecular formula C9H11ClNO2P and a molecular weight of 231.62 g/mol. Its IUPAC name is (4S,5S)-2-chloro-4-methyl-5-phenyl-1,3,2λ5-oxazaphospholidine 2-oxide.

Molecular Properties

Compound Name(4S,5S)-2-chloro-4-methyl-5-phenyl-1,3,2λ5-oxazaphospholidine 2-oxide
PubChem CID134895441
Molecular FormulaC9H11ClNO2P
Molecular Weight231.62 g/mol
Exact Mass231.02
IUPAC Name(4S,5S)-2-chloro-4-methyl-5-phenyl-1,3,2λ5-oxazaphospholidine 2-oxide
SMILESC[C@@H]1NP(=O)(Cl)O[C@H]1c1ccccc1
InChIInChI=1S/C9H11ClNO2P/c1-7-9(13-14(10,12)11-7)8-5-3-2-4-6-8/h2-7,9H,1H3,(H,11,12)/t7-,9+,14?/m0/s1
InChIKeyMWSBRWZKJOTDBO-ADKJUTMJSA-N
XLogP3.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.62
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(2S,3S)-2-amino-3-hydroxy-3-phenylpropyl] dihydrogen phosphate
CID 44392547
2-Butyl-4-methyl-5-phenyl-1,3,2-oxazaborolidine
CID 608698
(2R,4R,5S)-2-Chloro-3,4-dimethyl-5-phenyl-1,3,2lambda~5~-oxazaphospholidine-2-thione
CID 13694873
Ephedrine, phosphate (ester), (+)-
CID 71292
Ephedrine, phosphate (ester), (-)-
CID 71293
(2S,4S,5R)-3,4-dimethyl-5-phenyl-2-prop-2-enyl-1,3,2lambda5-oxazaphospholidine 2-oxide
CID 11969812
Ephedrine phosphate
CID 71287
2-Allyl-3-isopropyl-4-methyl-5-phenyl-1,3,2-oxazaphospholidine 2-oxide
CID 500039
(5r)-2-Chloro-3-methyl-5-phenyl-1,3,2-oxazaphospholidine
CID 12097596
2-Chloro-3,4-dimethyl-5-phenyl-1,3,2-oxazaphospholane
CID 13239037
(4R,5S)-2-ethoxy-3,4-dimethyl-5-phenyl-1,3,2$l^{5}-oxazaphospholidine 2-oxide
CID 176468507
3,4-Dimethyl-2-(3-methyl-1-phenylbuta-1,2-dienyl)-5-phenyl-1,3,2lambda5-oxazaphospholane 2-oxide
CID 15031760

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-2-chloro-4-methyl-5-phenyl-1,3,2λ5-oxazaphospholidine 2-oxide?
The IUPAC name of (4S,5S)-2-chloro-4-methyl-5-phenyl-1,3,2λ5-oxazaphospholidine 2-oxide (CID 134895441) is (4S,5S)-2-chloro-4-methyl-5-phenyl-1,3,2λ5-oxazaphospholidine 2-oxide.
What is the SMILES notation for (4S,5S)-2-chloro-4-methyl-5-phenyl-1,3,2λ5-oxazaphospholidine 2-oxide?
The canonical SMILES for (4S,5S)-2-chloro-4-methyl-5-phenyl-1,3,2λ5-oxazaphospholidine 2-oxide is C[C@@H]1NP(=O)(Cl)O[C@H]1c1ccccc1.
What is the InChIKey of (4S,5S)-2-chloro-4-methyl-5-phenyl-1,3,2λ5-oxazaphospholidine 2-oxide?
The InChIKey is MWSBRWZKJOTDBO-ADKJUTMJSA-N. The full InChI is InChI=1S/C9H11ClNO2P/c1-7-9(13-14(10,12)11-7)8-5-3-2-4-6-8/h2-7,9H,1H3,(H,11,12)/t7-,9+,14?/m0/s1.
What are the key properties of (4S,5S)-2-chloro-4-methyl-5-phenyl-1,3,2λ5-oxazaphospholidine 2-oxide?
(4S,5S)-2-chloro-4-methyl-5-phenyl-1,3,2λ5-oxazaphospholidine 2-oxide has a molecular weight of 231.62 g/mol, XLogP of 3.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-2-chloro-4-methyl-5-phenyl-1,3,2λ5-oxazaphospholidine 2-oxide is sourced from PubChem (CID 134895441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).