(2R,4S)-4-azido-2-naphthalen-2-yloxane

C15H15N3O — CID 102475560

IUPAC(2R,4S)-4-azido-2-naphthalen-2-yloxane
SMILES[N-]=[N+]=N[C@H]1CCO[C@@H](c2ccc3ccccc3c2)C1
InChIInChI=1S/C15H15N3O/c16-18-17-14-7-8-19-15(10-14)13-6-5-11-3-1-2-4-12(11)9-13/h1-6,9,14-15H,7-8,10H2/t14-,15+/m0/s1
InChIKeyCIPACZUKFBFXBO-LSDHHAIUSA-N
MW253.31 g/mol
LogP4.37
Rot. Bonds2

About (2R,4S)-4-azido-2-naphthalen-2-yloxane

(2R,4S)-4-azido-2-naphthalen-2-yloxane (PubChem CID 102475560) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is (2R,4S)-4-azido-2-naphthalen-2-yloxane.

Molecular Properties

Compound Name(2R,4S)-4-azido-2-naphthalen-2-yloxane
PubChem CID102475560
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name(2R,4S)-4-azido-2-naphthalen-2-yloxane
SMILES[N-]=[N+]=N[C@H]1CCO[C@@H](c2ccc3ccccc3c2)C1
InChIInChI=1S/C15H15N3O/c16-18-17-14-7-8-19-15(10-14)13-6-5-11-3-1-2-4-12(11)9-13/h1-6,9,14-15H,7-8,10H2/t14-,15+/m0/s1
InChIKeyCIPACZUKFBFXBO-LSDHHAIUSA-N
XLogP4.37
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 54.37
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'}

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Related Compounds

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CID 65650
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CID 164684524
Benzisochroman
CID 67403180
Methoxydi-hydrophenanthrene
CID 85626751
(2S)-2-naphthalen-2-yl-2,5-dihydrofuran
CID 101340423
(2S,4R)-4-fluoro-2-naphthalen-2-yloxane
CID 155927148
(2S,4S)-4-fluoro-2-naphthalen-2-yloxane
CID 155927211
6-naphthalen-2-yl-3,6-dihydro-2H-pyran
CID 11333302
(R)-6-(Naphthalen-2-yl)-3,6-dihydro-2H-pyran
CID 85470660
(2R,4S)-4-azido-2-(4-methylphenyl)oxane
CID 101430477
(2S,6R)-4-azido-2,6-diphenyloxane
CID 101430483

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-4-azido-2-naphthalen-2-yloxane?
The IUPAC name of (2R,4S)-4-azido-2-naphthalen-2-yloxane (CID 102475560) is (2R,4S)-4-azido-2-naphthalen-2-yloxane.
What is the SMILES notation for (2R,4S)-4-azido-2-naphthalen-2-yloxane?
The canonical SMILES for (2R,4S)-4-azido-2-naphthalen-2-yloxane is [N-]=[N+]=N[C@H]1CCO[C@@H](c2ccc3ccccc3c2)C1.
What is the InChIKey of (2R,4S)-4-azido-2-naphthalen-2-yloxane?
The InChIKey is CIPACZUKFBFXBO-LSDHHAIUSA-N. The full InChI is InChI=1S/C15H15N3O/c16-18-17-14-7-8-19-15(10-14)13-6-5-11-3-1-2-4-12(11)9-13/h1-6,9,14-15H,7-8,10H2/t14-,15+/m0/s1.
What are the key properties of (2R,4S)-4-azido-2-naphthalen-2-yloxane?
(2R,4S)-4-azido-2-naphthalen-2-yloxane has a molecular weight of 253.31 g/mol, XLogP of 4.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-4-azido-2-naphthalen-2-yloxane is sourced from PubChem (CID 102475560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).