3-azido-1-(1,2-oxazol-5-yl)propan-1-ol

C6H8N4O2 — CID 22489065

IUPAC3-azido-1-(1,2-oxazol-5-yl)propan-1-ol
SMILES[N-]=[N+]=NCCC(O)c1ccno1
InChIInChI=1S/C6H8N4O2/c7-10-8-3-1-5(11)6-2-4-9-12-6/h2,4-5,11H,1,3H2
InChIKeyURSJHIBFCFPDOE-UHFFFAOYSA-N
MW168.16 g/mol
LogP1.41
Rot. Bonds4

About 3-azido-1-(1,2-oxazol-5-yl)propan-1-ol

3-azido-1-(1,2-oxazol-5-yl)propan-1-ol (PubChem CID 22489065) has the molecular formula C6H8N4O2 and a molecular weight of 168.16 g/mol. Its IUPAC name is 3-azido-1-(1,2-oxazol-5-yl)propan-1-ol.

Molecular Properties

Compound Name3-azido-1-(1,2-oxazol-5-yl)propan-1-ol
PubChem CID22489065
Molecular FormulaC6H8N4O2
Molecular Weight168.16 g/mol
Exact Mass168.06
IUPAC Name3-azido-1-(1,2-oxazol-5-yl)propan-1-ol
SMILES[N-]=[N+]=NCCC(O)c1ccno1
InChIInChI=1S/C6H8N4O2/c7-10-8-3-1-5(11)6-2-4-9-12-6/h2,4-5,11H,1,3H2
InChIKeyURSJHIBFCFPDOE-UHFFFAOYSA-N
XLogP1.41
TPSA95.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.16
LogP ≤ 51.41
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-azido-1-(1,2-oxazol-5-yl)propan-1-ol?
The IUPAC name of 3-azido-1-(1,2-oxazol-5-yl)propan-1-ol (CID 22489065) is 3-azido-1-(1,2-oxazol-5-yl)propan-1-ol.
What is the SMILES notation for 3-azido-1-(1,2-oxazol-5-yl)propan-1-ol?
The canonical SMILES for 3-azido-1-(1,2-oxazol-5-yl)propan-1-ol is [N-]=[N+]=NCCC(O)c1ccno1.
What is the InChIKey of 3-azido-1-(1,2-oxazol-5-yl)propan-1-ol?
The InChIKey is URSJHIBFCFPDOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O2/c7-10-8-3-1-5(11)6-2-4-9-12-6/h2,4-5,11H,1,3H2.
What are the key properties of 3-azido-1-(1,2-oxazol-5-yl)propan-1-ol?
3-azido-1-(1,2-oxazol-5-yl)propan-1-ol has a molecular weight of 168.16 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azido-1-(1,2-oxazol-5-yl)propan-1-ol is sourced from PubChem (CID 22489065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).