5-(azidomethyl)-3-methyl-4-phenyl-1,2-oxazole

C11H10N4O — CID 123950746

IUPAC5-(azidomethyl)-3-methyl-4-phenyl-1,2-oxazole
SMILESCc1noc(CN=[N+]=[N-])c1-c1ccccc1
InChIInChI=1S/C11H10N4O/c1-8-11(9-5-3-2-4-6-9)10(16-14-8)7-13-15-12/h2-6H,7H2,1H3
InChIKeySWHQXCKJASPVEO-UHFFFAOYSA-N
MW214.23 g/mol
LogP3.46
Rot. Bonds3

About 5-(azidomethyl)-3-methyl-4-phenyl-1,2-oxazole

5-(azidomethyl)-3-methyl-4-phenyl-1,2-oxazole (PubChem CID 123950746) has the molecular formula C11H10N4O and a molecular weight of 214.23 g/mol. Its IUPAC name is 5-(azidomethyl)-3-methyl-4-phenyl-1,2-oxazole.

Molecular Properties

Compound Name5-(azidomethyl)-3-methyl-4-phenyl-1,2-oxazole
PubChem CID123950746
Molecular FormulaC11H10N4O
Molecular Weight214.23 g/mol
Exact Mass214.09
IUPAC Name5-(azidomethyl)-3-methyl-4-phenyl-1,2-oxazole
SMILESCc1noc(CN=[N+]=[N-])c1-c1ccccc1
InChIInChI=1S/C11H10N4O/c1-8-11(9-5-3-2-4-6-9)10(16-14-8)7-13-15-12/h2-6H,7H2,1H3
InChIKeySWHQXCKJASPVEO-UHFFFAOYSA-N
XLogP3.46
TPSA74.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 53.46
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 5-(azidomethyl)-3-methyl-4-phenyl-1,2-oxazole?
The IUPAC name of 5-(azidomethyl)-3-methyl-4-phenyl-1,2-oxazole (CID 123950746) is 5-(azidomethyl)-3-methyl-4-phenyl-1,2-oxazole.
What is the SMILES notation for 5-(azidomethyl)-3-methyl-4-phenyl-1,2-oxazole?
The canonical SMILES for 5-(azidomethyl)-3-methyl-4-phenyl-1,2-oxazole is Cc1noc(CN=[N+]=[N-])c1-c1ccccc1.
What is the InChIKey of 5-(azidomethyl)-3-methyl-4-phenyl-1,2-oxazole?
The InChIKey is SWHQXCKJASPVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O/c1-8-11(9-5-3-2-4-6-9)10(16-14-8)7-13-15-12/h2-6H,7H2,1H3.
What are the key properties of 5-(azidomethyl)-3-methyl-4-phenyl-1,2-oxazole?
5-(azidomethyl)-3-methyl-4-phenyl-1,2-oxazole has a molecular weight of 214.23 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azidomethyl)-3-methyl-4-phenyl-1,2-oxazole is sourced from PubChem (CID 123950746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).