(3R,5S)-3-diethoxyphosphoryl-2-methyl-5-(4-pyridin-2-yltriazol-1-yl)-1,2-oxazolidine

C15H22N5O4P — CID 56969518

IUPAC(3R,5S)-3-diethoxyphosphoryl-2-methyl-5-(4-pyridin-2-yltriazol-1-yl)-1,2-oxazolidine
SMILESCCOP(=O)(OCC)[C@@H]1C[C@@H](n2cc(-c3ccccn3)nn2)ON1C
InChIInChI=1S/C15H22N5O4P/c1-4-22-25(21,23-5-2)15-10-14(24-19(15)3)20-11-13(17-18-20)12-8-6-7-9-16-12/h6-9,11,14-15H,4-5,10H2,1-3H3/t14-,15+/m0/s1
InChIKeyYILSWFLHAMIHBK-LSDHHAIUSA-N
MW367.35 g/mol
LogP2.70
Rot. Bonds7

About (3R,5S)-3-diethoxyphosphoryl-2-methyl-5-(4-pyridin-2-yltriazol-1-yl)-1,2-oxazolidine

(3R,5S)-3-diethoxyphosphoryl-2-methyl-5-(4-pyridin-2-yltriazol-1-yl)-1,2-oxazolidine (PubChem CID 56969518) has the molecular formula C15H22N5O4P and a molecular weight of 367.35 g/mol. Its IUPAC name is (3R,5S)-3-diethoxyphosphoryl-2-methyl-5-(4-pyridin-2-yltriazol-1-yl)-1,2-oxazolidine.

Molecular Properties

Compound Name(3R,5S)-3-diethoxyphosphoryl-2-methyl-5-(4-pyridin-2-yltriazol-1-yl)-1,2-oxazolidine
PubChem CID56969518
Molecular FormulaC15H22N5O4P
Molecular Weight367.35 g/mol
Exact Mass367.14
IUPAC Name(3R,5S)-3-diethoxyphosphoryl-2-methyl-5-(4-pyridin-2-yltriazol-1-yl)-1,2-oxazolidine
SMILESCCOP(=O)(OCC)[C@@H]1C[C@@H](n2cc(-c3ccccn3)nn2)ON1C
InChIInChI=1S/C15H22N5O4P/c1-4-22-25(21,23-5-2)15-10-14(24-19(15)3)20-11-13(17-18-20)12-8-6-7-9-16-12/h6-9,11,14-15H,4-5,10H2,1-3H3/t14-,15+/m0/s1
InChIKeyYILSWFLHAMIHBK-LSDHHAIUSA-N
XLogP2.70
TPSA91.60 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.35
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze (3R,5S)-3-diethoxyphosphoryl-2-methyl-5-(4-pyridin-2-yltriazol-1-yl)-1,2-oxazolidine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-3-diethoxyphosphoryl-2-methyl-5-(4-pyridin-2-yltriazol-1-yl)-1,2-oxazolidine?
The IUPAC name of (3R,5S)-3-diethoxyphosphoryl-2-methyl-5-(4-pyridin-2-yltriazol-1-yl)-1,2-oxazolidine (CID 56969518) is (3R,5S)-3-diethoxyphosphoryl-2-methyl-5-(4-pyridin-2-yltriazol-1-yl)-1,2-oxazolidine.
What is the SMILES notation for (3R,5S)-3-diethoxyphosphoryl-2-methyl-5-(4-pyridin-2-yltriazol-1-yl)-1,2-oxazolidine?
The canonical SMILES for (3R,5S)-3-diethoxyphosphoryl-2-methyl-5-(4-pyridin-2-yltriazol-1-yl)-1,2-oxazolidine is CCOP(=O)(OCC)[C@@H]1C[C@@H](n2cc(-c3ccccn3)nn2)ON1C.
What is the InChIKey of (3R,5S)-3-diethoxyphosphoryl-2-methyl-5-(4-pyridin-2-yltriazol-1-yl)-1,2-oxazolidine?
The InChIKey is YILSWFLHAMIHBK-LSDHHAIUSA-N. The full InChI is InChI=1S/C15H22N5O4P/c1-4-22-25(21,23-5-2)15-10-14(24-19(15)3)20-11-13(17-18-20)12-8-6-7-9-16-12/h6-9,11,14-15H,4-5,10H2,1-3H3/t14-,15+/m0/s1.
What are the key properties of (3R,5S)-3-diethoxyphosphoryl-2-methyl-5-(4-pyridin-2-yltriazol-1-yl)-1,2-oxazolidine?
(3R,5S)-3-diethoxyphosphoryl-2-methyl-5-(4-pyridin-2-yltriazol-1-yl)-1,2-oxazolidine has a molecular weight of 367.35 g/mol, XLogP of 2.70, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-3-diethoxyphosphoryl-2-methyl-5-(4-pyridin-2-yltriazol-1-yl)-1,2-oxazolidine is sourced from PubChem (CID 56969518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).