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

C10H10N4O — CID 102228032

IUPAC5-(azidomethyl)-3-phenyl-4,5-dihydro-1,2-oxazole
SMILES[N-]=[N+]=NCC1CC(c2ccccc2)=NO1
InChIInChI=1S/C10H10N4O/c11-14-12-7-9-6-10(13-15-9)8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKeyKVQBJJORLOBLQV-UHFFFAOYSA-N
MW202.22 g/mol
LogP2.49
Rot. Bonds3

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

5-(azidomethyl)-3-phenyl-4,5-dihydro-1,2-oxazole (PubChem CID 102228032) has the molecular formula C10H10N4O and a molecular weight of 202.22 g/mol. Its IUPAC name is 5-(azidomethyl)-3-phenyl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-(azidomethyl)-3-phenyl-4,5-dihydro-1,2-oxazole
PubChem CID102228032
Molecular FormulaC10H10N4O
Molecular Weight202.22 g/mol
Exact Mass202.09
IUPAC Name5-(azidomethyl)-3-phenyl-4,5-dihydro-1,2-oxazole
SMILES[N-]=[N+]=NCC1CC(c2ccccc2)=NO1
InChIInChI=1S/C10H10N4O/c11-14-12-7-9-6-10(13-15-9)8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKeyKVQBJJORLOBLQV-UHFFFAOYSA-N
XLogP2.49
TPSA70.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.22
LogP ≤ 52.49
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-phenyl-4,5-dihydro-1,2-oxazole?
The IUPAC name of 5-(azidomethyl)-3-phenyl-4,5-dihydro-1,2-oxazole (CID 102228032) is 5-(azidomethyl)-3-phenyl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 5-(azidomethyl)-3-phenyl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 5-(azidomethyl)-3-phenyl-4,5-dihydro-1,2-oxazole is [N-]=[N+]=NCC1CC(c2ccccc2)=NO1.
What is the InChIKey of 5-(azidomethyl)-3-phenyl-4,5-dihydro-1,2-oxazole?
The InChIKey is KVQBJJORLOBLQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O/c11-14-12-7-9-6-10(13-15-9)8-4-2-1-3-5-8/h1-5,9H,6-7H2.
What are the key properties of 5-(azidomethyl)-3-phenyl-4,5-dihydro-1,2-oxazole?
5-(azidomethyl)-3-phenyl-4,5-dihydro-1,2-oxazole has a molecular weight of 202.22 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azidomethyl)-3-phenyl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 102228032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).