(3S,5R)-N-(4-acetylphenyl)-3-diethoxyphosphoryl-2-methyl-1,2-oxazolidine-5-carboxamide

C17H25N2O6P — CID 71718940

IUPAC(3S,5R)-N-(4-acetylphenyl)-3-diethoxyphosphoryl-2-methyl-1,2-oxazolidine-5-carboxamide
SMILESCCOP(=O)(OCC)[C@H]1C[C@H](C(=O)Nc2ccc(C(C)=O)cc2)ON1C
InChIInChI=1S/C17H25N2O6P/c1-5-23-26(22,24-6-2)16-11-15(25-19(16)4)17(21)18-14-9-7-13(8-10-14)12(3)20/h7-10,15-16H,5-6,11H2,1-4H3,(H,18,21)/t15-,16+/m1/s1
InChIKeyKERUXODKKFCNSP-CVEARBPZSA-N
MW384.37 g/mol
LogP3.06
Rot. Bonds8

About (3S,5R)-N-(4-acetylphenyl)-3-diethoxyphosphoryl-2-methyl-1,2-oxazolidine-5-carboxamide

(3S,5R)-N-(4-acetylphenyl)-3-diethoxyphosphoryl-2-methyl-1,2-oxazolidine-5-carboxamide (PubChem CID 71718940) has the molecular formula C17H25N2O6P and a molecular weight of 384.37 g/mol. Its IUPAC name is (3S,5R)-N-(4-acetylphenyl)-3-diethoxyphosphoryl-2-methyl-1,2-oxazolidine-5-carboxamide.

Molecular Properties

Compound Name(3S,5R)-N-(4-acetylphenyl)-3-diethoxyphosphoryl-2-methyl-1,2-oxazolidine-5-carboxamide
PubChem CID71718940
Molecular FormulaC17H25N2O6P
Molecular Weight384.37 g/mol
Exact Mass384.15
IUPAC Name(3S,5R)-N-(4-acetylphenyl)-3-diethoxyphosphoryl-2-methyl-1,2-oxazolidine-5-carboxamide
SMILESCCOP(=O)(OCC)[C@H]1C[C@H](C(=O)Nc2ccc(C(C)=O)cc2)ON1C
InChIInChI=1S/C17H25N2O6P/c1-5-23-26(22,24-6-2)16-11-15(25-19(16)4)17(21)18-14-9-7-13(8-10-14)12(3)20/h7-10,15-16H,5-6,11H2,1-4H3,(H,18,21)/t15-,16+/m1/s1
InChIKeyKERUXODKKFCNSP-CVEARBPZSA-N
XLogP3.06
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.37
LogP ≤ 53.06
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

(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
(3R,5R)-N-(2-acetylphenyl)-3-diethoxyphosphoryl-2-methyl-1,2-oxazolidine-5-carboxamide
CID 71524733
ethyl 4-[[2-[(4-acetylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 109143804
1-N-(4-acetamidophenyl)-2-N-(4-acetylphenyl)cyclopropane-1,2-dicarboxamide
CID 109143793
N-(4-acetylphenyl)-1-methylpiperidine-4-carboxamide
CID 59145520
1-N-(4-acetylphenyl)-2-N-cyclopropylcyclopropane-1,2-dicarboxamide
CID 109130958
N-(4-acetylphenyl)cyclobutanecarboxamide
CID 877885
ethyl 4-[(4-acetylbenzoyl)amino]benzoate
CID 4687806
N-(4-acetylphenyl)-2-phenylcyclopropane-1-carboxamide
CID 4205798
ethyl 4-[[1-(4-acetylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 113188983
methyl N-(4-acetylphenyl)carbamate;propane
CID 177246404

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-N-(4-acetylphenyl)-3-diethoxyphosphoryl-2-methyl-1,2-oxazolidine-5-carboxamide?
The IUPAC name of (3S,5R)-N-(4-acetylphenyl)-3-diethoxyphosphoryl-2-methyl-1,2-oxazolidine-5-carboxamide (CID 71718940) is (3S,5R)-N-(4-acetylphenyl)-3-diethoxyphosphoryl-2-methyl-1,2-oxazolidine-5-carboxamide.
What is the SMILES notation for (3S,5R)-N-(4-acetylphenyl)-3-diethoxyphosphoryl-2-methyl-1,2-oxazolidine-5-carboxamide?
The canonical SMILES for (3S,5R)-N-(4-acetylphenyl)-3-diethoxyphosphoryl-2-methyl-1,2-oxazolidine-5-carboxamide is CCOP(=O)(OCC)[C@H]1C[C@H](C(=O)Nc2ccc(C(C)=O)cc2)ON1C.
What is the InChIKey of (3S,5R)-N-(4-acetylphenyl)-3-diethoxyphosphoryl-2-methyl-1,2-oxazolidine-5-carboxamide?
The InChIKey is KERUXODKKFCNSP-CVEARBPZSA-N. The full InChI is InChI=1S/C17H25N2O6P/c1-5-23-26(22,24-6-2)16-11-15(25-19(16)4)17(21)18-14-9-7-13(8-10-14)12(3)20/h7-10,15-16H,5-6,11H2,1-4H3,(H,18,21)/t15-,16+/m1/s1.
What are the key properties of (3S,5R)-N-(4-acetylphenyl)-3-diethoxyphosphoryl-2-methyl-1,2-oxazolidine-5-carboxamide?
(3S,5R)-N-(4-acetylphenyl)-3-diethoxyphosphoryl-2-methyl-1,2-oxazolidine-5-carboxamide has a molecular weight of 384.37 g/mol, XLogP of 3.06, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-N-(4-acetylphenyl)-3-diethoxyphosphoryl-2-methyl-1,2-oxazolidine-5-carboxamide is sourced from PubChem (CID 71718940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).