2-(azidomethyl)-5-(2-chlorophenyl)-1,3-oxazole

C10H7ClN4O — CID 121205153

IUPAC2-(azidomethyl)-5-(2-chlorophenyl)-1,3-oxazole
SMILES[N-]=[N+]=NCc1ncc(-c2ccccc2Cl)o1
InChIInChI=1S/C10H7ClN4O/c11-8-4-2-1-3-7(8)9-5-13-10(16-9)6-14-15-12/h1-5H,6H2
InChIKeyJSHJOKZPYJHGNH-UHFFFAOYSA-N
MW234.65 g/mol
LogP3.81
Rot. Bonds3

About 2-(azidomethyl)-5-(2-chlorophenyl)-1,3-oxazole

2-(azidomethyl)-5-(2-chlorophenyl)-1,3-oxazole (PubChem CID 121205153) has the molecular formula C10H7ClN4O and a molecular weight of 234.65 g/mol. Its IUPAC name is 2-(azidomethyl)-5-(2-chlorophenyl)-1,3-oxazole.

Molecular Properties

Compound Name2-(azidomethyl)-5-(2-chlorophenyl)-1,3-oxazole
PubChem CID121205153
Molecular FormulaC10H7ClN4O
Molecular Weight234.65 g/mol
Exact Mass234.03
IUPAC Name2-(azidomethyl)-5-(2-chlorophenyl)-1,3-oxazole
SMILES[N-]=[N+]=NCc1ncc(-c2ccccc2Cl)o1
InChIInChI=1S/C10H7ClN4O/c11-8-4-2-1-3-7(8)9-5-13-10(16-9)6-14-15-12/h1-5H,6H2
InChIKeyJSHJOKZPYJHGNH-UHFFFAOYSA-N
XLogP3.81
TPSA74.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.65
LogP ≤ 53.81
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 2-(azidomethyl)-5-(2-chlorophenyl)-1,3-oxazole?
The IUPAC name of 2-(azidomethyl)-5-(2-chlorophenyl)-1,3-oxazole (CID 121205153) is 2-(azidomethyl)-5-(2-chlorophenyl)-1,3-oxazole.
What is the SMILES notation for 2-(azidomethyl)-5-(2-chlorophenyl)-1,3-oxazole?
The canonical SMILES for 2-(azidomethyl)-5-(2-chlorophenyl)-1,3-oxazole is [N-]=[N+]=NCc1ncc(-c2ccccc2Cl)o1.
What is the InChIKey of 2-(azidomethyl)-5-(2-chlorophenyl)-1,3-oxazole?
The InChIKey is JSHJOKZPYJHGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN4O/c11-8-4-2-1-3-7(8)9-5-13-10(16-9)6-14-15-12/h1-5H,6H2.
What are the key properties of 2-(azidomethyl)-5-(2-chlorophenyl)-1,3-oxazole?
2-(azidomethyl)-5-(2-chlorophenyl)-1,3-oxazole has a molecular weight of 234.65 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azidomethyl)-5-(2-chlorophenyl)-1,3-oxazole is sourced from PubChem (CID 121205153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).