(2R,4R)-4-azido-2-phenyloxane

C11H13N3O — CID 86610160

IUPAC(2R,4R)-4-azido-2-phenyloxane
SMILES[N-]=[N+]=N[C@@H]1CCO[C@@H](c2ccccc2)C1
InChIInChI=1S/C11H13N3O/c12-14-13-10-6-7-15-11(8-10)9-4-2-1-3-5-9/h1-5,10-11H,6-8H2/t10-,11-/m1/s1
InChIKeyORRBTGOHHOUFCN-GHMZBOCLSA-N
MW203.25 g/mol
LogP3.22
Rot. Bonds2

About (2R,4R)-4-azido-2-phenyloxane

(2R,4R)-4-azido-2-phenyloxane (PubChem CID 86610160) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is (2R,4R)-4-azido-2-phenyloxane.

Molecular Properties

Compound Name(2R,4R)-4-azido-2-phenyloxane
PubChem CID86610160
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name(2R,4R)-4-azido-2-phenyloxane
SMILES[N-]=[N+]=N[C@@H]1CCO[C@@H](c2ccccc2)C1
InChIInChI=1S/C11H13N3O/c12-14-13-10-6-7-15-11(8-10)9-4-2-1-3-5-9/h1-5,10-11H,6-8H2/t10-,11-/m1/s1
InChIKeyORRBTGOHHOUFCN-GHMZBOCLSA-N
XLogP3.22
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze (2R,4R)-4-azido-2-phenyloxane 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

(2S)-4-azido-2-phenyloxane
CID 91415127
(2S,4R)-4-azido-2-phenyloxane
CID 156594188
(2R,4S)-4-azido-2-[(E)-2-phenylethenyl]oxane
CID 25068070
5-azido-2-phenyl-1,3-dioxane
CID 59511058
(2S,4S)-2-phenyloxan-4-ol
CID 67658519
(3S,5S)-3-azido-5-phenyloxolan-2-one
CID 102451787
4-fluoro-1-(2-phenyloxan-4-yl)piperidine
CID 68995810
5-azido-2-benzhydryloxane
CID 73009162
N,N-dimethylmethanamine;2-phenyloxolane
CID 71271242
4,6-dimethyl-N-(2-phenyloxan-4-yl)pyrimidin-2-amine
CID 133474071
2-phenyloxirane
CID 7276
(3S,5R)-5-phenyloxolan-3-ol
CID 97052112

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-azido-2-phenyloxane?
The IUPAC name of (2R,4R)-4-azido-2-phenyloxane (CID 86610160) is (2R,4R)-4-azido-2-phenyloxane.
What is the SMILES notation for (2R,4R)-4-azido-2-phenyloxane?
The canonical SMILES for (2R,4R)-4-azido-2-phenyloxane is [N-]=[N+]=N[C@@H]1CCO[C@@H](c2ccccc2)C1.
What is the InChIKey of (2R,4R)-4-azido-2-phenyloxane?
The InChIKey is ORRBTGOHHOUFCN-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H13N3O/c12-14-13-10-6-7-15-11(8-10)9-4-2-1-3-5-9/h1-5,10-11H,6-8H2/t10-,11-/m1/s1.
What are the key properties of (2R,4R)-4-azido-2-phenyloxane?
(2R,4R)-4-azido-2-phenyloxane has a molecular weight of 203.25 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-azido-2-phenyloxane is sourced from PubChem (CID 86610160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).