2-diethoxyphosphoryl-1-[(4R)-2-hydroxy-4-phenyl-1,3-oxazolidin-3-yl]ethanone

C15H22NO6P — CID 164604037

IUPAC2-diethoxyphosphoryl-1-[(4R)-2-hydroxy-4-phenyl-1,3-oxazolidin-3-yl]ethanone
SMILESCCOP(=O)(CC(=O)N1C(O)OC[C@H]1c1ccccc1)OCC
InChIInChI=1S/C15H22NO6P/c1-3-21-23(19,22-4-2)11-14(17)16-13(10-20-15(16)18)12-8-6-5-7-9-12/h5-9,13,15,18H,3-4,10-11H2,1-2H3/t13-,15?/m0/s1
InChIKeyCPPNGQIPCOXDBF-CFMCSPIPSA-N
MW343.32 g/mol
LogP2.13
Rot. Bonds7

About 2-diethoxyphosphoryl-1-[(4R)-2-hydroxy-4-phenyl-1,3-oxazolidin-3-yl]ethanone

2-diethoxyphosphoryl-1-[(4R)-2-hydroxy-4-phenyl-1,3-oxazolidin-3-yl]ethanone (PubChem CID 164604037) has the molecular formula C15H22NO6P and a molecular weight of 343.32 g/mol. Its IUPAC name is 2-diethoxyphosphoryl-1-[(4R)-2-hydroxy-4-phenyl-1,3-oxazolidin-3-yl]ethanone.

Molecular Properties

Compound Name2-diethoxyphosphoryl-1-[(4R)-2-hydroxy-4-phenyl-1,3-oxazolidin-3-yl]ethanone
PubChem CID164604037
Molecular FormulaC15H22NO6P
Molecular Weight343.32 g/mol
Exact Mass343.12
IUPAC Name2-diethoxyphosphoryl-1-[(4R)-2-hydroxy-4-phenyl-1,3-oxazolidin-3-yl]ethanone
SMILESCCOP(=O)(CC(=O)N1C(O)OC[C@H]1c1ccccc1)OCC
InChIInChI=1S/C15H22NO6P/c1-3-21-23(19,22-4-2)11-14(17)16-13(10-20-15(16)18)12-8-6-5-7-9-12/h5-9,13,15,18H,3-4,10-11H2,1-2H3/t13-,15?/m0/s1
InChIKeyCPPNGQIPCOXDBF-CFMCSPIPSA-N
XLogP2.13
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.32
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-oxo-3-[(2R,4R)-4-phenyl-2-[(2R,3S)-3-phenyloxiran-2-yl]-1,3-oxazolidin-3-yl]propanoate
CID 11058025
5-diethoxyphosphoryl-3-phenyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine
CID 3848592
ethyl (2R,4R)-2-[(1R)-1-hydroxy-2-methylpropyl]-4-phenyl-1,3-oxazolidine-3-carboxylate
CID 11077224
2-diethoxyphosphoryl-1-pyrrol-1-ylethanone
CID 89488126
ethyl 2-[(3S,5S,7aR)-3-phenyl-2,3,5,6,7,7a-hexahydropyrrolo[2,1-b][1,3]oxazol-5-yl]acetate
CID 10731104
2-benzyl-5-diethoxyphosphoryl-3-phenyl-1,2-oxazolidine
CID 15180764
2-diethoxyphosphoryl-N-phenylacetamide
CID 12520780
(4S,5S)-4-butyl-1-(2-diethoxyphosphorylacetyl)-4,5-diphenylimidazolidin-2-one
CID 139728196
tert-butyl (2S,4S)-2-(2-methylprop-1-enyl)-4-phenyl-1,3-oxazolidine-3-carboxylate
CID 15548409
ethyl (7R,9R)-7,9-diphenyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate
CID 71613650
(E)-4-diethoxyphosphoryl-3-phenylbut-2-enoic acid
CID 87453545
N,N-dibenzyl-2-diethoxyphosphorylacetamide
CID 11100843

Frequently Asked Questions

What is the IUPAC name of 2-diethoxyphosphoryl-1-[(4R)-2-hydroxy-4-phenyl-1,3-oxazolidin-3-yl]ethanone?
The IUPAC name of 2-diethoxyphosphoryl-1-[(4R)-2-hydroxy-4-phenyl-1,3-oxazolidin-3-yl]ethanone (CID 164604037) is 2-diethoxyphosphoryl-1-[(4R)-2-hydroxy-4-phenyl-1,3-oxazolidin-3-yl]ethanone.
What is the SMILES notation for 2-diethoxyphosphoryl-1-[(4R)-2-hydroxy-4-phenyl-1,3-oxazolidin-3-yl]ethanone?
The canonical SMILES for 2-diethoxyphosphoryl-1-[(4R)-2-hydroxy-4-phenyl-1,3-oxazolidin-3-yl]ethanone is CCOP(=O)(CC(=O)N1C(O)OC[C@H]1c1ccccc1)OCC.
What is the InChIKey of 2-diethoxyphosphoryl-1-[(4R)-2-hydroxy-4-phenyl-1,3-oxazolidin-3-yl]ethanone?
The InChIKey is CPPNGQIPCOXDBF-CFMCSPIPSA-N. The full InChI is InChI=1S/C15H22NO6P/c1-3-21-23(19,22-4-2)11-14(17)16-13(10-20-15(16)18)12-8-6-5-7-9-12/h5-9,13,15,18H,3-4,10-11H2,1-2H3/t13-,15?/m0/s1.
What are the key properties of 2-diethoxyphosphoryl-1-[(4R)-2-hydroxy-4-phenyl-1,3-oxazolidin-3-yl]ethanone?
2-diethoxyphosphoryl-1-[(4R)-2-hydroxy-4-phenyl-1,3-oxazolidin-3-yl]ethanone has a molecular weight of 343.32 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diethoxyphosphoryl-1-[(4R)-2-hydroxy-4-phenyl-1,3-oxazolidin-3-yl]ethanone is sourced from PubChem (CID 164604037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).