(2R,5R)-2,5-bis(4-nitrophenyl)oxolane

C16H14N2O5 — CID 14770197

IUPAC(2R,5R)-2,5-bis(4-nitrophenyl)oxolane
SMILESO=[N+]([O-])c1ccc([C@H]2CC[C@H](c3ccc([N+](=O)[O-])cc3)O2)cc1
InChIInChI=1S/C16H14N2O5/c19-17(20)13-5-1-11(2-6-13)15-9-10-16(23-15)12-3-7-14(8-4-12)18(21)22/h1-8,15-16H,9-10H2/t15-,16-/m1/s1
InChIKeyOXOZHOMZQOBMEI-HZPDHXFCSA-N
MW314.30 g/mol
LogP4.10
Rot. Bonds4

About (2R,5R)-2,5-bis(4-nitrophenyl)oxolane

(2R,5R)-2,5-bis(4-nitrophenyl)oxolane (PubChem CID 14770197) has the molecular formula C16H14N2O5 and a molecular weight of 314.30 g/mol. Its IUPAC name is (2R,5R)-2,5-bis(4-nitrophenyl)oxolane.

Molecular Properties

Compound Name(2R,5R)-2,5-bis(4-nitrophenyl)oxolane
PubChem CID14770197
Molecular FormulaC16H14N2O5
Molecular Weight314.30 g/mol
Exact Mass314.09
IUPAC Name(2R,5R)-2,5-bis(4-nitrophenyl)oxolane
SMILESO=[N+]([O-])c1ccc([C@H]2CC[C@H](c3ccc([N+](=O)[O-])cc3)O2)cc1
InChIInChI=1S/C16H14N2O5/c19-17(20)13-5-1-11(2-6-13)15-9-10-16(23-15)12-3-7-14(8-4-12)18(21)22/h1-8,15-16H,9-10H2/t15-,16-/m1/s1
InChIKeyOXOZHOMZQOBMEI-HZPDHXFCSA-N
XLogP4.10
TPSA95.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.30
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2R,5R)-2,5-bis(4-nitrophenyl)oxolane with MolForge

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

Launch Full Analysis

Related Compounds

(2R,4S,6S)-2,4-bis(4-nitrophenyl)-6-phenyl-1,3-dioxane
CID 100817075
(2S,4R)-4-fluoro-2-(4-nitrophenyl)oxane
CID 25058582
(2S,6S)-2-(4-nitrophenyl)-6-phenyl-1,3-oxazinan-4-one
CID 102323795
4-methylidene-2-(4-nitrophenyl)-6-propyloxane
CID 102507433
(1S,3R)-1-methyl-3-(4-nitrophenyl)-3,4-dihydro-1H-isochromene
CID 15425708
2-(4-nitrophenyl)-1,3-dioxepane
CID 12562261
4-(4-nitrophenyl)azetidin-2-one
CID 55255418
5,5-dimethyl-2-(4-nitrophenyl)morpholine
CID 154639657
6-methyl-2-(4-nitrophenyl)-2,3-dihydropyran-4-one
CID 72760820
(4R)-4-(4-nitrophenyl)-1,3-oxazolidin-2-one
CID 12065059
(2R,5R)-2-(3-nitrophenyl)-5-(4-nitrophenyl)-1,3-oxazolidine
CID 6999249
[(2R,4S)-2-(4-nitrophenyl)oxan-4-yl] thiocyanate
CID 24770068

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-2,5-bis(4-nitrophenyl)oxolane?
The IUPAC name of (2R,5R)-2,5-bis(4-nitrophenyl)oxolane (CID 14770197) is (2R,5R)-2,5-bis(4-nitrophenyl)oxolane.
What is the SMILES notation for (2R,5R)-2,5-bis(4-nitrophenyl)oxolane?
The canonical SMILES for (2R,5R)-2,5-bis(4-nitrophenyl)oxolane is O=[N+]([O-])c1ccc([C@H]2CC[C@H](c3ccc([N+](=O)[O-])cc3)O2)cc1.
What is the InChIKey of (2R,5R)-2,5-bis(4-nitrophenyl)oxolane?
The InChIKey is OXOZHOMZQOBMEI-HZPDHXFCSA-N. The full InChI is InChI=1S/C16H14N2O5/c19-17(20)13-5-1-11(2-6-13)15-9-10-16(23-15)12-3-7-14(8-4-12)18(21)22/h1-8,15-16H,9-10H2/t15-,16-/m1/s1.
What are the key properties of (2R,5R)-2,5-bis(4-nitrophenyl)oxolane?
(2R,5R)-2,5-bis(4-nitrophenyl)oxolane has a molecular weight of 314.30 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-2,5-bis(4-nitrophenyl)oxolane is sourced from PubChem (CID 14770197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).