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

C10H9FN4O — CID 23529470

IUPAC5-(azidomethyl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole
SMILES[N-]=[N+]=NCC1CC(c2ccc(F)cc2)=NO1
InChIInChI=1S/C10H9FN4O/c11-8-3-1-7(2-4-8)10-5-9(16-14-10)6-13-15-12/h1-4,9H,5-6H2
InChIKeySSGVUTYVBFOWRR-UHFFFAOYSA-N
MW220.21 g/mol
LogP2.63
Rot. Bonds3

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

5-(azidomethyl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole (PubChem CID 23529470) has the molecular formula C10H9FN4O and a molecular weight of 220.21 g/mol. Its IUPAC name is 5-(azidomethyl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-(azidomethyl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole
PubChem CID23529470
Molecular FormulaC10H9FN4O
Molecular Weight220.21 g/mol
Exact Mass220.08
IUPAC Name5-(azidomethyl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole
SMILES[N-]=[N+]=NCC1CC(c2ccc(F)cc2)=NO1
InChIInChI=1S/C10H9FN4O/c11-8-3-1-7(2-4-8)10-5-9(16-14-10)6-13-15-12/h1-4,9H,5-6H2
InChIKeySSGVUTYVBFOWRR-UHFFFAOYSA-N
XLogP2.63
TPSA70.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.21
LogP ≤ 52.63
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-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole?
The IUPAC name of 5-(azidomethyl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole (CID 23529470) is 5-(azidomethyl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 5-(azidomethyl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 5-(azidomethyl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole is [N-]=[N+]=NCC1CC(c2ccc(F)cc2)=NO1.
What is the InChIKey of 5-(azidomethyl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole?
The InChIKey is SSGVUTYVBFOWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN4O/c11-8-3-1-7(2-4-8)10-5-9(16-14-10)6-13-15-12/h1-4,9H,5-6H2.
What are the key properties of 5-(azidomethyl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole?
5-(azidomethyl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole has a molecular weight of 220.21 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azidomethyl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 23529470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).