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

C16H25N2O5P — CID 71718927

IUPAC(3S,5R)-3-diethoxyphosphoryl-2-methyl-N-(3-methylphenyl)-1,2-oxazolidine-5-carboxamide
SMILESCCOP(=O)(OCC)[C@H]1C[C@H](C(=O)Nc2cccc(C)c2)ON1C
InChIInChI=1S/C16H25N2O5P/c1-5-21-24(20,22-6-2)15-11-14(23-18(15)4)16(19)17-13-9-7-8-12(3)10-13/h7-10,14-15H,5-6,11H2,1-4H3,(H,17,19)/t14-,15+/m1/s1
InChIKeyNSBVNGZSDFLXLU-CABCVRRESA-N
MW356.36 g/mol
LogP3.16
Rot. Bonds7

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

(3S,5R)-3-diethoxyphosphoryl-2-methyl-N-(3-methylphenyl)-1,2-oxazolidine-5-carboxamide (PubChem CID 71718927) has the molecular formula C16H25N2O5P and a molecular weight of 356.36 g/mol. Its IUPAC name is (3S,5R)-3-diethoxyphosphoryl-2-methyl-N-(3-methylphenyl)-1,2-oxazolidine-5-carboxamide.

Molecular Properties

Compound Name(3S,5R)-3-diethoxyphosphoryl-2-methyl-N-(3-methylphenyl)-1,2-oxazolidine-5-carboxamide
PubChem CID71718927
Molecular FormulaC16H25N2O5P
Molecular Weight356.36 g/mol
Exact Mass356.15
IUPAC Name(3S,5R)-3-diethoxyphosphoryl-2-methyl-N-(3-methylphenyl)-1,2-oxazolidine-5-carboxamide
SMILESCCOP(=O)(OCC)[C@H]1C[C@H](C(=O)Nc2cccc(C)c2)ON1C
InChIInChI=1S/C16H25N2O5P/c1-5-21-24(20,22-6-2)15-11-14(23-18(15)4)16(19)17-13-9-7-8-12(3)10-13/h7-10,14-15H,5-6,11H2,1-4H3,(H,17,19)/t14-,15+/m1/s1
InChIKeyNSBVNGZSDFLXLU-CABCVRRESA-N
XLogP3.16
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.36
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (3S,5R)-3-diethoxyphosphoryl-2-methyl-N-(3-methylphenyl)-1,2-oxazolidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R,5R)-3-diethoxyphosphoryl-N-(3-methoxyphenyl)-2-methyl-1,2-oxazolidine-5-carboxamide
CID 71719553
(3S,5R)-N-(4-acetylphenyl)-3-diethoxyphosphoryl-2-methyl-1,2-oxazolidine-5-carboxamide
CID 71718940
(3S,5R)-3-diethoxyphosphoryl-5-(2,4-dimethoxyphenyl)-2-methyl-1,2-oxazolidine
CID 72946420
[(3S,5S)-3-diethoxyphosphoryl-2-methyl-1,2-oxazolidin-5-yl]methanol
CID 135059999
1-N-(2-ethoxyphenyl)-2-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141044
2-N,3-N-bis(3-methylphenyl)bicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide
CID 3104582
1-N,1-N-diethyl-2-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109139304
4-methyl-2-[(3-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114390373
(2S)-N-(3-methylphenyl)-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 92673567
4-N-(3,5-dimethylphenyl)-1-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150418
(2R)-6-chloro-N-(3-methylphenyl)-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 93490328
(2S)-7-methyl-N-(3-methylphenyl)-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide
CID 95081286

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-3-diethoxyphosphoryl-2-methyl-N-(3-methylphenyl)-1,2-oxazolidine-5-carboxamide?
The IUPAC name of (3S,5R)-3-diethoxyphosphoryl-2-methyl-N-(3-methylphenyl)-1,2-oxazolidine-5-carboxamide (CID 71718927) is (3S,5R)-3-diethoxyphosphoryl-2-methyl-N-(3-methylphenyl)-1,2-oxazolidine-5-carboxamide.
What is the SMILES notation for (3S,5R)-3-diethoxyphosphoryl-2-methyl-N-(3-methylphenyl)-1,2-oxazolidine-5-carboxamide?
The canonical SMILES for (3S,5R)-3-diethoxyphosphoryl-2-methyl-N-(3-methylphenyl)-1,2-oxazolidine-5-carboxamide is CCOP(=O)(OCC)[C@H]1C[C@H](C(=O)Nc2cccc(C)c2)ON1C.
What is the InChIKey of (3S,5R)-3-diethoxyphosphoryl-2-methyl-N-(3-methylphenyl)-1,2-oxazolidine-5-carboxamide?
The InChIKey is NSBVNGZSDFLXLU-CABCVRRESA-N. The full InChI is InChI=1S/C16H25N2O5P/c1-5-21-24(20,22-6-2)15-11-14(23-18(15)4)16(19)17-13-9-7-8-12(3)10-13/h7-10,14-15H,5-6,11H2,1-4H3,(H,17,19)/t14-,15+/m1/s1.
What are the key properties of (3S,5R)-3-diethoxyphosphoryl-2-methyl-N-(3-methylphenyl)-1,2-oxazolidine-5-carboxamide?
(3S,5R)-3-diethoxyphosphoryl-2-methyl-N-(3-methylphenyl)-1,2-oxazolidine-5-carboxamide has a molecular weight of 356.36 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-3-diethoxyphosphoryl-2-methyl-N-(3-methylphenyl)-1,2-oxazolidine-5-carboxamide is sourced from PubChem (CID 71718927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).