(2R,5R)-2-(3-nitrophenyl)-5-(4-nitrophenyl)-1,3-oxazolidine

C15H13N3O5 — CID 6999249

IUPAC(2R,5R)-2-(3-nitrophenyl)-5-(4-nitrophenyl)-1,3-oxazolidine
SMILESO=[N+]([O-])c1ccc([C@@H]2CN[C@@H](c3cccc([N+](=O)[O-])c3)O2)cc1
InChIInChI=1S/C15H13N3O5/c19-17(20)12-6-4-10(5-7-12)14-9-16-15(23-14)11-2-1-3-13(8-11)18(21)22/h1-8,14-16H,9H2/t14-,15+/m0/s1
InChIKeyNIBBZFQJAFJNFD-LSDHHAIUSA-N
MW315.29 g/mol
LogP2.86
Rot. Bonds4

About (2R,5R)-2-(3-nitrophenyl)-5-(4-nitrophenyl)-1,3-oxazolidine

(2R,5R)-2-(3-nitrophenyl)-5-(4-nitrophenyl)-1,3-oxazolidine (PubChem CID 6999249) has the molecular formula C15H13N3O5 and a molecular weight of 315.29 g/mol. Its IUPAC name is (2R,5R)-2-(3-nitrophenyl)-5-(4-nitrophenyl)-1,3-oxazolidine.

Molecular Properties

Compound Name(2R,5R)-2-(3-nitrophenyl)-5-(4-nitrophenyl)-1,3-oxazolidine
PubChem CID6999249
Molecular FormulaC15H13N3O5
Molecular Weight315.29 g/mol
Exact Mass315.09
IUPAC Name(2R,5R)-2-(3-nitrophenyl)-5-(4-nitrophenyl)-1,3-oxazolidine
SMILESO=[N+]([O-])c1ccc([C@@H]2CN[C@@H](c3cccc([N+](=O)[O-])c3)O2)cc1
InChIInChI=1S/C15H13N3O5/c19-17(20)12-6-4-10(5-7-12)14-9-16-15(23-14)11-2-1-3-13(8-11)18(21)22/h1-8,14-16H,9H2/t14-,15+/m0/s1
InChIKeyNIBBZFQJAFJNFD-LSDHHAIUSA-N
XLogP2.86
TPSA107.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.29
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(2,6-dichlorophenyl)-5-(4-nitrophenyl)-1,3-oxazolidine
CID 69234335
(2R,5S)-2-(2-chlorophenyl)-5-(4-nitrophenyl)-1,3-oxazolidine
CID 726620
N,N-dimethyl-4-[(2R,5R)-5-(4-nitrophenyl)-1,3-oxazolidin-2-yl]aniline
CID 794908
N,N-diethyl-4-[(2S,5R)-5-(4-nitrophenyl)-1,3-oxazolidin-2-yl]aniline
CID 743655
(2R,5S)-2-(2-methoxyphenyl)-5-(4-nitrophenyl)-1,3-oxazolidine
CID 765982
(2S,6S)-2-(4-nitrophenyl)-6-phenyl-1,3-oxazinan-4-one
CID 102323795
(2R,5R)-2,5-bis(4-nitrophenyl)oxolane
CID 14770197
(2R,4S,6S)-2,4-bis(4-nitrophenyl)-6-phenyl-1,3-dioxane
CID 100817075
2-(4-nitrophenyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[e][1,3]oxazine
CID 596509
(2R,6S)-4-(3,4-dimethylphenyl)-2,6-bis(3-nitrophenyl)oxane
CID 42604462
2-(3-nitrophenyl)-1,3-dioxole
CID 141349380
2-(3-nitrophenyl)-2,4,4a,5,6,7,8,8a-octahydro-1H-benzo[d][1,3]oxazine
CID 592203

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-2-(3-nitrophenyl)-5-(4-nitrophenyl)-1,3-oxazolidine?
The IUPAC name of (2R,5R)-2-(3-nitrophenyl)-5-(4-nitrophenyl)-1,3-oxazolidine (CID 6999249) is (2R,5R)-2-(3-nitrophenyl)-5-(4-nitrophenyl)-1,3-oxazolidine.
What is the SMILES notation for (2R,5R)-2-(3-nitrophenyl)-5-(4-nitrophenyl)-1,3-oxazolidine?
The canonical SMILES for (2R,5R)-2-(3-nitrophenyl)-5-(4-nitrophenyl)-1,3-oxazolidine is O=[N+]([O-])c1ccc([C@@H]2CN[C@@H](c3cccc([N+](=O)[O-])c3)O2)cc1.
What is the InChIKey of (2R,5R)-2-(3-nitrophenyl)-5-(4-nitrophenyl)-1,3-oxazolidine?
The InChIKey is NIBBZFQJAFJNFD-LSDHHAIUSA-N. The full InChI is InChI=1S/C15H13N3O5/c19-17(20)12-6-4-10(5-7-12)14-9-16-15(23-14)11-2-1-3-13(8-11)18(21)22/h1-8,14-16H,9H2/t14-,15+/m0/s1.
What are the key properties of (2R,5R)-2-(3-nitrophenyl)-5-(4-nitrophenyl)-1,3-oxazolidine?
(2R,5R)-2-(3-nitrophenyl)-5-(4-nitrophenyl)-1,3-oxazolidine has a molecular weight of 315.29 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-2-(3-nitrophenyl)-5-(4-nitrophenyl)-1,3-oxazolidine is sourced from PubChem (CID 6999249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).