(3S,5R)-3-diethoxyphosphoryl-5-(2,4-dimethoxyphenyl)-2-methyl-1,2-oxazolidine

C16H26NO6P — CID 72946420

IUPAC(3S,5R)-3-diethoxyphosphoryl-5-(2,4-dimethoxyphenyl)-2-methyl-1,2-oxazolidine
SMILESCCOP(=O)(OCC)[C@H]1C[C@H](c2ccc(OC)cc2OC)ON1C
InChIInChI=1S/C16H26NO6P/c1-6-21-24(18,22-7-2)16-11-15(23-17(16)3)13-9-8-12(19-4)10-14(13)20-5/h8-10,15-16H,6-7,11H2,1-5H3/t15-,16+/m1/s1
InChIKeyFIOARVZBASAEKY-CVEARBPZSA-N
MW359.36 g/mol
LogP3.60
Rot. Bonds8

About (3S,5R)-3-diethoxyphosphoryl-5-(2,4-dimethoxyphenyl)-2-methyl-1,2-oxazolidine

(3S,5R)-3-diethoxyphosphoryl-5-(2,4-dimethoxyphenyl)-2-methyl-1,2-oxazolidine (PubChem CID 72946420) has the molecular formula C16H26NO6P and a molecular weight of 359.36 g/mol. Its IUPAC name is (3S,5R)-3-diethoxyphosphoryl-5-(2,4-dimethoxyphenyl)-2-methyl-1,2-oxazolidine.

Molecular Properties

Compound Name(3S,5R)-3-diethoxyphosphoryl-5-(2,4-dimethoxyphenyl)-2-methyl-1,2-oxazolidine
PubChem CID72946420
Molecular FormulaC16H26NO6P
Molecular Weight359.36 g/mol
Exact Mass359.15
IUPAC Name(3S,5R)-3-diethoxyphosphoryl-5-(2,4-dimethoxyphenyl)-2-methyl-1,2-oxazolidine
SMILESCCOP(=O)(OCC)[C@H]1C[C@H](c2ccc(OC)cc2OC)ON1C
InChIInChI=1S/C16H26NO6P/c1-6-21-24(18,22-7-2)16-11-15(23-17(16)3)13-9-8-12(19-4)10-14(13)20-5/h8-10,15-16H,6-7,11H2,1-5H3/t15-,16+/m1/s1
InChIKeyFIOARVZBASAEKY-CVEARBPZSA-N
XLogP3.60
TPSA66.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.36
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(3S,5R)-3-diethoxyphosphoryl-2-methyl-N-(3-methylphenyl)-1,2-oxazolidine-5-carboxamide
CID 71718927
trans-(1S,2R)-2-(2,4-dimethoxyphenyl)cyclopropan-1-amine
CID 39238725
(3S,4S)-4-(2,4-dimethoxyphenyl)-1-methylpyrrolidin-3-amine
CID 96594536
1-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-3-ethylimidazolidine-2,4,5-trione
CID 9285575
(2S)-2-(2,4-dimethoxyphenyl)-1-ethylpyrrolidine
CID 94709986
2-(2,4-dimethoxyphenyl)-3-(2-hydroxyethyl)-1,3-thiazolidin-4-one
CID 3866950
(4R,5R)-4-diethoxyphosphoryl-9-methoxy-12-oxa-2-azatetracyclo[11.4.0.02,5.06,11]heptadeca-1(17),6(11),7,9,13,15-hexaen-3-one
CID 53360761
6-(2,4-dimethoxyphenyl)-2-methyl-2-propylmorpholine
CID 106292512
3-(2,4-dimethoxyphenyl)-2-ethyl-N,2-dimethylcyclobutan-1-amine
CID 81418351
2-(2,4-dimethoxyphenyl)cyclobutane-1-carboxylic acid
CID 81008806
(2R,3S,5S)-3-(benzenesulfonyl)-2-(2,4-dimethoxyphenyl)-5-phenyloxolane
CID 100944584
(2S,5R)-2-(2,4-dimethoxyphenyl)-5-hydroxy-1,5-dimethylpiperidin-4-one
CID 3050452

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-3-diethoxyphosphoryl-5-(2,4-dimethoxyphenyl)-2-methyl-1,2-oxazolidine?
The IUPAC name of (3S,5R)-3-diethoxyphosphoryl-5-(2,4-dimethoxyphenyl)-2-methyl-1,2-oxazolidine (CID 72946420) is (3S,5R)-3-diethoxyphosphoryl-5-(2,4-dimethoxyphenyl)-2-methyl-1,2-oxazolidine.
What is the SMILES notation for (3S,5R)-3-diethoxyphosphoryl-5-(2,4-dimethoxyphenyl)-2-methyl-1,2-oxazolidine?
The canonical SMILES for (3S,5R)-3-diethoxyphosphoryl-5-(2,4-dimethoxyphenyl)-2-methyl-1,2-oxazolidine is CCOP(=O)(OCC)[C@H]1C[C@H](c2ccc(OC)cc2OC)ON1C.
What is the InChIKey of (3S,5R)-3-diethoxyphosphoryl-5-(2,4-dimethoxyphenyl)-2-methyl-1,2-oxazolidine?
The InChIKey is FIOARVZBASAEKY-CVEARBPZSA-N. The full InChI is InChI=1S/C16H26NO6P/c1-6-21-24(18,22-7-2)16-11-15(23-17(16)3)13-9-8-12(19-4)10-14(13)20-5/h8-10,15-16H,6-7,11H2,1-5H3/t15-,16+/m1/s1.
What are the key properties of (3S,5R)-3-diethoxyphosphoryl-5-(2,4-dimethoxyphenyl)-2-methyl-1,2-oxazolidine?
(3S,5R)-3-diethoxyphosphoryl-5-(2,4-dimethoxyphenyl)-2-methyl-1,2-oxazolidine has a molecular weight of 359.36 g/mol, XLogP of 3.60, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-3-diethoxyphosphoryl-5-(2,4-dimethoxyphenyl)-2-methyl-1,2-oxazolidine is sourced from PubChem (CID 72946420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).