(2S)-2-[azido(diphenyl)methyl]oxane

C18H19N3O — CID 90736527

IUPAC(2S)-2-[azido(diphenyl)methyl]oxane
SMILES[N-]=[N+]=NC(c1ccccc1)(c1ccccc1)[C@@H]1CCCCO1
InChIInChI=1S/C18H19N3O/c19-21-20-18(15-9-3-1-4-10-15,16-11-5-2-6-12-16)17-13-7-8-14-22-17/h1-6,9-12,17H,7-8,13-14H2/t17-/m0/s1
InChIKeyVKYXBBCVTULYCT-KRWDZBQOSA-N
MW293.37 g/mol
LogP4.81
Rot. Bonds4

About (2S)-2-[azido(diphenyl)methyl]oxane

(2S)-2-[azido(diphenyl)methyl]oxane (PubChem CID 90736527) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is (2S)-2-[azido(diphenyl)methyl]oxane.

Molecular Properties

Compound Name(2S)-2-[azido(diphenyl)methyl]oxane
PubChem CID90736527
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name(2S)-2-[azido(diphenyl)methyl]oxane
SMILES[N-]=[N+]=NC(c1ccccc1)(c1ccccc1)[C@@H]1CCCCO1
InChIInChI=1S/C18H19N3O/c19-21-20-18(15-9-3-1-4-10-15,16-11-5-2-6-12-16)17-13-7-8-14-22-17/h1-6,9-12,17H,7-8,13-14H2/t17-/m0/s1
InChIKeyVKYXBBCVTULYCT-KRWDZBQOSA-N
XLogP4.81
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.81
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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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[azido(diphenyl)methyl]oxane?
The IUPAC name of (2S)-2-[azido(diphenyl)methyl]oxane (CID 90736527) is (2S)-2-[azido(diphenyl)methyl]oxane.
What is the SMILES notation for (2S)-2-[azido(diphenyl)methyl]oxane?
The canonical SMILES for (2S)-2-[azido(diphenyl)methyl]oxane is [N-]=[N+]=NC(c1ccccc1)(c1ccccc1)[C@@H]1CCCCO1.
What is the InChIKey of (2S)-2-[azido(diphenyl)methyl]oxane?
The InChIKey is VKYXBBCVTULYCT-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H19N3O/c19-21-20-18(15-9-3-1-4-10-15,16-11-5-2-6-12-16)17-13-7-8-14-22-17/h1-6,9-12,17H,7-8,13-14H2/t17-/m0/s1.
What are the key properties of (2S)-2-[azido(diphenyl)methyl]oxane?
(2S)-2-[azido(diphenyl)methyl]oxane has a molecular weight of 293.37 g/mol, XLogP of 4.81, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[azido(diphenyl)methyl]oxane is sourced from PubChem (CID 90736527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).