6-azido-5-chloro-1,3-benzoxazole

C7H3ClN4O — CID 151821768

IUPAC6-azido-5-chloro-1,3-benzoxazole
SMILES[N-]=[N+]=Nc1cc2ocnc2cc1Cl
InChIInChI=1S/C7H3ClN4O/c8-4-1-6-7(13-3-10-6)2-5(4)11-12-9/h1-3H
InChIKeySCUBYDAWIWBTCC-UHFFFAOYSA-N
MW194.58 g/mol
LogP3.42
Rot. Bonds1

About 6-azido-5-chloro-1,3-benzoxazole

6-azido-5-chloro-1,3-benzoxazole (PubChem CID 151821768) has the molecular formula C7H3ClN4O and a molecular weight of 194.58 g/mol. Its IUPAC name is 6-azido-5-chloro-1,3-benzoxazole.

Molecular Properties

Compound Name6-azido-5-chloro-1,3-benzoxazole
PubChem CID151821768
Molecular FormulaC7H3ClN4O
Molecular Weight194.58 g/mol
Exact Mass194.00
IUPAC Name6-azido-5-chloro-1,3-benzoxazole
SMILES[N-]=[N+]=Nc1cc2ocnc2cc1Cl
InChIInChI=1S/C7H3ClN4O/c8-4-1-6-7(13-3-10-6)2-5(4)11-12-9/h1-3H
InChIKeySCUBYDAWIWBTCC-UHFFFAOYSA-N
XLogP3.42
TPSA74.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.58
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 6-azido-5-chloro-1,3-benzoxazole?
The IUPAC name of 6-azido-5-chloro-1,3-benzoxazole (CID 151821768) is 6-azido-5-chloro-1,3-benzoxazole.
What is the SMILES notation for 6-azido-5-chloro-1,3-benzoxazole?
The canonical SMILES for 6-azido-5-chloro-1,3-benzoxazole is [N-]=[N+]=Nc1cc2ocnc2cc1Cl.
What is the InChIKey of 6-azido-5-chloro-1,3-benzoxazole?
The InChIKey is SCUBYDAWIWBTCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClN4O/c8-4-1-6-7(13-3-10-6)2-5(4)11-12-9/h1-3H.
What are the key properties of 6-azido-5-chloro-1,3-benzoxazole?
6-azido-5-chloro-1,3-benzoxazole has a molecular weight of 194.58 g/mol, XLogP of 3.42, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-azido-5-chloro-1,3-benzoxazole is sourced from PubChem (CID 151821768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).