3-azido-1-(phenylmethoxymethyl)-6-oxabicyclo[3.2.0]heptan-4-ol

C14H17N3O3 — CID 134867249

IUPAC3-azido-1-(phenylmethoxymethyl)-6-oxabicyclo[3.2.0]heptan-4-ol
SMILES[N-]=[N+]=NC1CC2(COCc3ccccc3)COC2C1O
InChIInChI=1S/C14H17N3O3/c15-17-16-11-6-14(9-20-13(14)12(11)18)8-19-7-10-4-2-1-3-5-10/h1-5,11-13,18H,6-9H2
InChIKeyVCBIUYOWVCTOGD-UHFFFAOYSA-N
MW275.31 g/mol
LogP2.03
Rot. Bonds5

About 3-azido-1-(phenylmethoxymethyl)-6-oxabicyclo[3.2.0]heptan-4-ol

3-azido-1-(phenylmethoxymethyl)-6-oxabicyclo[3.2.0]heptan-4-ol (PubChem CID 134867249) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 3-azido-1-(phenylmethoxymethyl)-6-oxabicyclo[3.2.0]heptan-4-ol.

Molecular Properties

Compound Name3-azido-1-(phenylmethoxymethyl)-6-oxabicyclo[3.2.0]heptan-4-ol
PubChem CID134867249
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name3-azido-1-(phenylmethoxymethyl)-6-oxabicyclo[3.2.0]heptan-4-ol
SMILES[N-]=[N+]=NC1CC2(COCc3ccccc3)COC2C1O
InChIInChI=1S/C14H17N3O3/c15-17-16-11-6-14(9-20-13(14)12(11)18)8-19-7-10-4-2-1-3-5-10/h1-5,11-13,18H,6-9H2
InChIKeyVCBIUYOWVCTOGD-UHFFFAOYSA-N
XLogP2.03
TPSA87.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 3-azido-1-(phenylmethoxymethyl)-6-oxabicyclo[3.2.0]heptan-4-ol 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

(1S,2S,3R,4S,5R)-5-azido-3-phenylmethoxy-1-(phenylmethoxymethyl)cyclohexane-1,2,4-triol
CID 10692302
(2S)-5-azido-2-(phenylmethoxymethyl)oxan-4-ol
CID 46862805
(1S,2S,4R,5S,6R)-5-azido-6-phenylmethoxy-2-(phenylmethoxymethyl)cyclohexane-1,2,4-triol
CID 10668615
(4S)-4-methyl-4-(phenylmethoxymethyl)oxolan-2-ol
CID 15450619
(4S)-4-fluoro-4-(phenylmethoxymethyl)oxolan-2-ol
CID 10966198
(2S,3S,4R,5S)-3-azido-5-(2-phenylmethoxyethoxy)cyclopentane-1,2,4-triol
CID 71264492
benzyl (4S,5R)-4-azido-5-hydroxyazepane-1-carboxylate
CID 124635222
[(3R,4R)-3,4-diazidocyclopentyl]oxymethylbenzene
CID 58822158
(2R,3R,4R,5R,6R)-4-azido-5,6-dimethoxy-2-(phenylmethoxymethyl)oxan-3-ol
CID 10448864
benzyl 3-azido-4-hydroxypiperidine-1-carboxylate
CID 59455704
benzyl (3R,4S)-3-azido-4-hydroxypyrrolidine-1-carboxylate
CID 15965761
(2R,3S,4R,5R,6S)-5-azido-4-phenylmethoxy-2-(phenylmethoxymethyl)-6-phenylsulfanyloxan-3-ol
CID 10528627

Frequently Asked Questions

What is the IUPAC name of 3-azido-1-(phenylmethoxymethyl)-6-oxabicyclo[3.2.0]heptan-4-ol?
The IUPAC name of 3-azido-1-(phenylmethoxymethyl)-6-oxabicyclo[3.2.0]heptan-4-ol (CID 134867249) is 3-azido-1-(phenylmethoxymethyl)-6-oxabicyclo[3.2.0]heptan-4-ol.
What is the SMILES notation for 3-azido-1-(phenylmethoxymethyl)-6-oxabicyclo[3.2.0]heptan-4-ol?
The canonical SMILES for 3-azido-1-(phenylmethoxymethyl)-6-oxabicyclo[3.2.0]heptan-4-ol is [N-]=[N+]=NC1CC2(COCc3ccccc3)COC2C1O.
What is the InChIKey of 3-azido-1-(phenylmethoxymethyl)-6-oxabicyclo[3.2.0]heptan-4-ol?
The InChIKey is VCBIUYOWVCTOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c15-17-16-11-6-14(9-20-13(14)12(11)18)8-19-7-10-4-2-1-3-5-10/h1-5,11-13,18H,6-9H2.
What are the key properties of 3-azido-1-(phenylmethoxymethyl)-6-oxabicyclo[3.2.0]heptan-4-ol?
3-azido-1-(phenylmethoxymethyl)-6-oxabicyclo[3.2.0]heptan-4-ol has a molecular weight of 275.31 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azido-1-(phenylmethoxymethyl)-6-oxabicyclo[3.2.0]heptan-4-ol is sourced from PubChem (CID 134867249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).