(5S)-5-diethoxyphosphoryl-3-(phenylmethoxymethyl)-4,5-dihydro-1,2-oxazole

C15H22NO5P — CID 132581718

IUPAC(5S)-5-diethoxyphosphoryl-3-(phenylmethoxymethyl)-4,5-dihydro-1,2-oxazole
SMILESCCOP(=O)(OCC)[C@H]1CC(COCc2ccccc2)=NO1
InChIInChI=1S/C15H22NO5P/c1-3-19-22(17,20-4-2)15-10-14(16-21-15)12-18-11-13-8-6-5-7-9-13/h5-9,15H,3-4,10-12H2,1-2H3/t15-/m0/s1
InChIKeyWANCRHQZUCDLMG-HNNXBMFYSA-N
MW327.32 g/mol
LogP3.57
Rot. Bonds9

About (5S)-5-diethoxyphosphoryl-3-(phenylmethoxymethyl)-4,5-dihydro-1,2-oxazole

(5S)-5-diethoxyphosphoryl-3-(phenylmethoxymethyl)-4,5-dihydro-1,2-oxazole (PubChem CID 132581718) has the molecular formula C15H22NO5P and a molecular weight of 327.32 g/mol. Its IUPAC name is (5S)-5-diethoxyphosphoryl-3-(phenylmethoxymethyl)-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name(5S)-5-diethoxyphosphoryl-3-(phenylmethoxymethyl)-4,5-dihydro-1,2-oxazole
PubChem CID132581718
Molecular FormulaC15H22NO5P
Molecular Weight327.32 g/mol
Exact Mass327.12
IUPAC Name(5S)-5-diethoxyphosphoryl-3-(phenylmethoxymethyl)-4,5-dihydro-1,2-oxazole
SMILESCCOP(=O)(OCC)[C@H]1CC(COCc2ccccc2)=NO1
InChIInChI=1S/C15H22NO5P/c1-3-19-22(17,20-4-2)15-10-14(16-21-15)12-18-11-13-8-6-5-7-9-13/h5-9,15H,3-4,10-12H2,1-2H3/t15-/m0/s1
InChIKeyWANCRHQZUCDLMG-HNNXBMFYSA-N
XLogP3.57
TPSA66.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.32
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-[(5S)-3-(phenylmethoxymethyl)-4,5-dihydro-1,2-oxazol-5-yl]ethane-1,2-diol
CID 10800738
(5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(phenylmethoxymethyl)-4,5-dihydro-1,2-oxazole
CID 10589665
2-benzyl-5-diethoxyphosphoryl-3-phenyl-1,2-oxazolidine
CID 15180764
phenylmethoxymethylbenzene;phosphoric acid
CID 141118417
2-(1-diethoxyphosphoryl-2-phenylmethoxyethoxy)ethoxy-trimethylsilane
CID 10739996
(213C)ethoxymethylbenzene
CID 87947851
ethane;phenylmethoxymethylbenzene
CID 90943549
2-diethoxyphosphorylprop-2-enoxymethylbenzene
CID 11129808
benzyl dihydrogen phosphate;ethoxyethane
CID 67119526
benzyl ethyl methyl phosphate
CID 152677778
(1S)-1-diethoxyphosphoryl-3-phenylmethoxypropan-1-ol
CID 134942131
1-diethoxyphosphoryl-N-phenylmethoxymethanamine
CID 11832560

Frequently Asked Questions

What is the IUPAC name of (5S)-5-diethoxyphosphoryl-3-(phenylmethoxymethyl)-4,5-dihydro-1,2-oxazole?
The IUPAC name of (5S)-5-diethoxyphosphoryl-3-(phenylmethoxymethyl)-4,5-dihydro-1,2-oxazole (CID 132581718) is (5S)-5-diethoxyphosphoryl-3-(phenylmethoxymethyl)-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for (5S)-5-diethoxyphosphoryl-3-(phenylmethoxymethyl)-4,5-dihydro-1,2-oxazole?
The canonical SMILES for (5S)-5-diethoxyphosphoryl-3-(phenylmethoxymethyl)-4,5-dihydro-1,2-oxazole is CCOP(=O)(OCC)[C@H]1CC(COCc2ccccc2)=NO1.
What is the InChIKey of (5S)-5-diethoxyphosphoryl-3-(phenylmethoxymethyl)-4,5-dihydro-1,2-oxazole?
The InChIKey is WANCRHQZUCDLMG-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H22NO5P/c1-3-19-22(17,20-4-2)15-10-14(16-21-15)12-18-11-13-8-6-5-7-9-13/h5-9,15H,3-4,10-12H2,1-2H3/t15-/m0/s1.
What are the key properties of (5S)-5-diethoxyphosphoryl-3-(phenylmethoxymethyl)-4,5-dihydro-1,2-oxazole?
(5S)-5-diethoxyphosphoryl-3-(phenylmethoxymethyl)-4,5-dihydro-1,2-oxazole has a molecular weight of 327.32 g/mol, XLogP of 3.57, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-diethoxyphosphoryl-3-(phenylmethoxymethyl)-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 132581718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).