(4R)-2-ethyl-2-(3-nitropropyl)-4-phenyl-1,3-oxazolidine

C14H20N2O3 — CID 58715573

IUPAC(4R)-2-ethyl-2-(3-nitropropyl)-4-phenyl-1,3-oxazolidine
SMILESCCC1(CCC[N+](=O)[O-])N[C@H](c2ccccc2)CO1
InChIInChI=1S/C14H20N2O3/c1-2-14(9-6-10-16(17)18)15-13(11-19-14)12-7-4-3-5-8-12/h3-5,7-8,13,15H,2,6,9-11H2,1H3/t13-,14?/m0/s1
InChIKeyGTXNMCHLAYBFLI-LSLKUGRBSA-N
MW264.32 g/mol
LogP2.51
Rot. Bonds6

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

(4R)-2-ethyl-2-(3-nitropropyl)-4-phenyl-1,3-oxazolidine (PubChem CID 58715573) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is (4R)-2-ethyl-2-(3-nitropropyl)-4-phenyl-1,3-oxazolidine.

Molecular Properties

Compound Name(4R)-2-ethyl-2-(3-nitropropyl)-4-phenyl-1,3-oxazolidine
PubChem CID58715573
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name(4R)-2-ethyl-2-(3-nitropropyl)-4-phenyl-1,3-oxazolidine
SMILESCCC1(CCC[N+](=O)[O-])N[C@H](c2ccccc2)CO1
InChIInChI=1S/C14H20N2O3/c1-2-14(9-6-10-16(17)18)15-13(11-19-14)12-7-4-3-5-8-12/h3-5,7-8,13,15H,2,6,9-11H2,1H3/t13-,14?/m0/s1
InChIKeyGTXNMCHLAYBFLI-LSLKUGRBSA-N
XLogP2.51
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(Trifluoromethyl)-4alpha-phenyloxazolidine
CID 11492233
(4R)-2-methyl-4-phenyl-2-(trifluoromethyl)-1,3-oxazolidine
CID 16081879
Oxazolidine, 4-phenyl-2-(trifluoromethyl)-, (2S,4R)-
CID 11447265
2-Trifluoromethyl-4-phenyltetrahydrooxazole
CID 72965222
(4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidine
CID 15688641
2-Methyl-4-phenyl-2-(trifluoromethyl)-1,3-oxazolidine
CID 66847496
(2R,4R)-2-methyl-4-phenyl-2-(trifluoromethyl)-1,3-oxazolidine
CID 66847497
(R)-2-methyl-4-phenyl-2-trifluoromethyloxazolidine
CID 67776705
(2S,4R)-2-methyl-4-phenyl-2-(trifluoromethyl)-1,3-oxazolidine
CID 67982726
(2S)-2-methyl-4-phenyl-2-(trifluoromethyl)-1,3-oxazolidine
CID 67982727
(4R)-4-phenyl-2-(2,2,2-trifluoroethyl)-1,3-oxazolidine
CID 71045167
(4R)-2-(fluoromethyl)-2-methyl-4-phenyl-1,3-oxazolidine
CID 90392038

Frequently Asked Questions

What is the IUPAC name of (4R)-2-ethyl-2-(3-nitropropyl)-4-phenyl-1,3-oxazolidine?
The IUPAC name of (4R)-2-ethyl-2-(3-nitropropyl)-4-phenyl-1,3-oxazolidine (CID 58715573) is (4R)-2-ethyl-2-(3-nitropropyl)-4-phenyl-1,3-oxazolidine.
What is the SMILES notation for (4R)-2-ethyl-2-(3-nitropropyl)-4-phenyl-1,3-oxazolidine?
The canonical SMILES for (4R)-2-ethyl-2-(3-nitropropyl)-4-phenyl-1,3-oxazolidine is CCC1(CCC[N+](=O)[O-])N[C@H](c2ccccc2)CO1.
What is the InChIKey of (4R)-2-ethyl-2-(3-nitropropyl)-4-phenyl-1,3-oxazolidine?
The InChIKey is GTXNMCHLAYBFLI-LSLKUGRBSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-2-14(9-6-10-16(17)18)15-13(11-19-14)12-7-4-3-5-8-12/h3-5,7-8,13,15H,2,6,9-11H2,1H3/t13-,14?/m0/s1.
What are the key properties of (4R)-2-ethyl-2-(3-nitropropyl)-4-phenyl-1,3-oxazolidine?
(4R)-2-ethyl-2-(3-nitropropyl)-4-phenyl-1,3-oxazolidine has a molecular weight of 264.32 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-ethyl-2-(3-nitropropyl)-4-phenyl-1,3-oxazolidine is sourced from PubChem (CID 58715573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).