(3R,5R)-3-diethoxyphosphoryl-N-(3-methoxyphenyl)-2-methyl-1,2-oxazolidine-5-carboxamide

C16H25N2O6P — CID 71719553

IUPAC(3R,5R)-3-diethoxyphosphoryl-N-(3-methoxyphenyl)-2-methyl-1,2-oxazolidine-5-carboxamide
SMILESCCOP(=O)(OCC)[C@@H]1C[C@H](C(=O)Nc2cccc(OC)c2)ON1C
InChIInChI=1S/C16H25N2O6P/c1-5-22-25(20,23-6-2)15-11-14(24-18(15)3)16(19)17-12-8-7-9-13(10-12)21-4/h7-10,14-15H,5-6,11H2,1-4H3,(H,17,19)/t14-,15-/m1/s1
InChIKeyZIAGXSBUFFBTEU-HUUCEWRRSA-N
MW372.36 g/mol
LogP2.86
Rot. Bonds8

About (3R,5R)-3-diethoxyphosphoryl-N-(3-methoxyphenyl)-2-methyl-1,2-oxazolidine-5-carboxamide

(3R,5R)-3-diethoxyphosphoryl-N-(3-methoxyphenyl)-2-methyl-1,2-oxazolidine-5-carboxamide (PubChem CID 71719553) has the molecular formula C16H25N2O6P and a molecular weight of 372.36 g/mol. Its IUPAC name is (3R,5R)-3-diethoxyphosphoryl-N-(3-methoxyphenyl)-2-methyl-1,2-oxazolidine-5-carboxamide.

Molecular Properties

Compound Name(3R,5R)-3-diethoxyphosphoryl-N-(3-methoxyphenyl)-2-methyl-1,2-oxazolidine-5-carboxamide
PubChem CID71719553
Molecular FormulaC16H25N2O6P
Molecular Weight372.36 g/mol
Exact Mass372.15
IUPAC Name(3R,5R)-3-diethoxyphosphoryl-N-(3-methoxyphenyl)-2-methyl-1,2-oxazolidine-5-carboxamide
SMILESCCOP(=O)(OCC)[C@@H]1C[C@H](C(=O)Nc2cccc(OC)c2)ON1C
InChIInChI=1S/C16H25N2O6P/c1-5-22-25(20,23-6-2)15-11-14(24-18(15)3)16(19)17-12-8-7-9-13(10-12)21-4/h7-10,14-15H,5-6,11H2,1-4H3,(H,17,19)/t14-,15-/m1/s1
InChIKeyZIAGXSBUFFBTEU-HUUCEWRRSA-N
XLogP2.86
TPSA86.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.36
LogP ≤ 52.86
H-Bond Donors ≤ 51
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
(3R,5S)-3-diethoxyphosphoryl-N-(4-fluorophenyl)-2-methyl-1,2-oxazolidine-5-carboxamide
CID 71525228
(3R,5R)-N-(4-chlorophenyl)-3-diethoxyphosphoryl-2-methyl-1,2-oxazolidine-5-carboxamide
CID 71524675
(3S,5R)-3-diethoxyphosphoryl-5-(2,4-dimethoxyphenyl)-2-methyl-1,2-oxazolidine
CID 72946420
(2R)-N-(3-methoxyphenyl)oxolane-2-carboxamide
CID 898392
2-N-(4-ethylphenyl)-1-N-(3-methoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109142087
(1S,2R,3S,4R)-2-N,3-N-bis(3-methoxyphenyl)bicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide
CID 6967054
4-amino-N-(3-methoxyphenyl)cyclopent-2-ene-1-carboxamide
CID 79211392
(1R,2R,4R,5R)-N-(3-methoxyphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 98160421
(3S)-1-(4-ethoxyphenyl)-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1072645
(2R,5S)-5-[(3-ethoxyphenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102944592
(3R,5R)-N-(3-methoxyphenyl)-2-oxo-5-phenyloxolane-3-carboxamide
CID 826005

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-3-diethoxyphosphoryl-N-(3-methoxyphenyl)-2-methyl-1,2-oxazolidine-5-carboxamide?
The IUPAC name of (3R,5R)-3-diethoxyphosphoryl-N-(3-methoxyphenyl)-2-methyl-1,2-oxazolidine-5-carboxamide (CID 71719553) is (3R,5R)-3-diethoxyphosphoryl-N-(3-methoxyphenyl)-2-methyl-1,2-oxazolidine-5-carboxamide.
What is the SMILES notation for (3R,5R)-3-diethoxyphosphoryl-N-(3-methoxyphenyl)-2-methyl-1,2-oxazolidine-5-carboxamide?
The canonical SMILES for (3R,5R)-3-diethoxyphosphoryl-N-(3-methoxyphenyl)-2-methyl-1,2-oxazolidine-5-carboxamide is CCOP(=O)(OCC)[C@@H]1C[C@H](C(=O)Nc2cccc(OC)c2)ON1C.
What is the InChIKey of (3R,5R)-3-diethoxyphosphoryl-N-(3-methoxyphenyl)-2-methyl-1,2-oxazolidine-5-carboxamide?
The InChIKey is ZIAGXSBUFFBTEU-HUUCEWRRSA-N. The full InChI is InChI=1S/C16H25N2O6P/c1-5-22-25(20,23-6-2)15-11-14(24-18(15)3)16(19)17-12-8-7-9-13(10-12)21-4/h7-10,14-15H,5-6,11H2,1-4H3,(H,17,19)/t14-,15-/m1/s1.
What are the key properties of (3R,5R)-3-diethoxyphosphoryl-N-(3-methoxyphenyl)-2-methyl-1,2-oxazolidine-5-carboxamide?
(3R,5R)-3-diethoxyphosphoryl-N-(3-methoxyphenyl)-2-methyl-1,2-oxazolidine-5-carboxamide has a molecular weight of 372.36 g/mol, XLogP of 2.86, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-3-diethoxyphosphoryl-N-(3-methoxyphenyl)-2-methyl-1,2-oxazolidine-5-carboxamide is sourced from PubChem (CID 71719553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).