(4R)-2-(dimethoxymethyl)-4-phenyl-1,3-oxazolidine

C12H17NO3 — CID 134831604

IUPAC(4R)-2-(dimethoxymethyl)-4-phenyl-1,3-oxazolidine
SMILESCOC(OC)C1N[C@H](c2ccccc2)CO1
InChIInChI=1S/C12H17NO3/c1-14-12(15-2)11-13-10(8-16-11)9-6-4-3-5-7-9/h3-7,10-13H,8H2,1-2H3/t10-,11?/m0/s1
InChIKeyWXMXXLHFSKVWOU-VUWPPUDQSA-N
MW223.27 g/mol
LogP1.29
Rot. Bonds4

About (4R)-2-(dimethoxymethyl)-4-phenyl-1,3-oxazolidine

(4R)-2-(dimethoxymethyl)-4-phenyl-1,3-oxazolidine (PubChem CID 134831604) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is (4R)-2-(dimethoxymethyl)-4-phenyl-1,3-oxazolidine.

Molecular Properties

Compound Name(4R)-2-(dimethoxymethyl)-4-phenyl-1,3-oxazolidine
PubChem CID134831604
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name(4R)-2-(dimethoxymethyl)-4-phenyl-1,3-oxazolidine
SMILESCOC(OC)C1N[C@H](c2ccccc2)CO1
InChIInChI=1S/C12H17NO3/c1-14-12(15-2)11-13-10(8-16-11)9-6-4-3-5-7-9/h3-7,10-13H,8H2,1-2H3/t10-,11?/m0/s1
InChIKeyWXMXXLHFSKVWOU-VUWPPUDQSA-N
XLogP1.29
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R)-2-(dimethoxymethyl)-4-phenyl-1,3-oxazolidine?
The IUPAC name of (4R)-2-(dimethoxymethyl)-4-phenyl-1,3-oxazolidine (CID 134831604) is (4R)-2-(dimethoxymethyl)-4-phenyl-1,3-oxazolidine.
What is the SMILES notation for (4R)-2-(dimethoxymethyl)-4-phenyl-1,3-oxazolidine?
The canonical SMILES for (4R)-2-(dimethoxymethyl)-4-phenyl-1,3-oxazolidine is COC(OC)C1N[C@H](c2ccccc2)CO1.
What is the InChIKey of (4R)-2-(dimethoxymethyl)-4-phenyl-1,3-oxazolidine?
The InChIKey is WXMXXLHFSKVWOU-VUWPPUDQSA-N. The full InChI is InChI=1S/C12H17NO3/c1-14-12(15-2)11-13-10(8-16-11)9-6-4-3-5-7-9/h3-7,10-13H,8H2,1-2H3/t10-,11?/m0/s1.
What are the key properties of (4R)-2-(dimethoxymethyl)-4-phenyl-1,3-oxazolidine?
(4R)-2-(dimethoxymethyl)-4-phenyl-1,3-oxazolidine has a molecular weight of 223.27 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-(dimethoxymethyl)-4-phenyl-1,3-oxazolidine is sourced from PubChem (CID 134831604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).