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

C10H7FN4O — CID 61373650

IUPAC4-(azidomethyl)-2-(4-fluorophenyl)-1,3-oxazole
SMILES[N-]=[N+]=NCc1coc(-c2ccc(F)cc2)n1
InChIInChI=1S/C10H7FN4O/c11-8-3-1-7(2-4-8)10-14-9(6-16-10)5-13-15-12/h1-4,6H,5H2
InChIKeyADEDSQIRIHEREV-UHFFFAOYSA-N
MW218.19 g/mol
LogP3.29
Rot. Bonds3

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

4-(azidomethyl)-2-(4-fluorophenyl)-1,3-oxazole (PubChem CID 61373650) has the molecular formula C10H7FN4O and a molecular weight of 218.19 g/mol. Its IUPAC name is 4-(azidomethyl)-2-(4-fluorophenyl)-1,3-oxazole.

Molecular Properties

Compound Name4-(azidomethyl)-2-(4-fluorophenyl)-1,3-oxazole
PubChem CID61373650
Molecular FormulaC10H7FN4O
Molecular Weight218.19 g/mol
Exact Mass218.06
IUPAC Name4-(azidomethyl)-2-(4-fluorophenyl)-1,3-oxazole
SMILES[N-]=[N+]=NCc1coc(-c2ccc(F)cc2)n1
InChIInChI=1S/C10H7FN4O/c11-8-3-1-7(2-4-8)10-14-9(6-16-10)5-13-15-12/h1-4,6H,5H2
InChIKeyADEDSQIRIHEREV-UHFFFAOYSA-N
XLogP3.29
TPSA74.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.19
LogP ≤ 53.29
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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Related Compounds

1-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-methylmethanamine
CID 60726482
5-[4-(azidomethyl)-1,3-oxazol-2-yl]-2-methoxybenzonitrile
CID 175553162
2-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl-(2-hydroxyethyl)amino]ethanol
CID 62021325
2,4-bis(4-fluorophenyl)-1,3-oxazole
CID 21176471
4-(butylsulfanylmethyl)-2-(4-fluorophenyl)-1,3-oxazole
CID 78845847
3-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]propan-1-ol
CID 66114740
2-(4-fluorophenyl)-4-propan-2-yl-1,3-oxazole
CID 146379712
2-(4-fluorophenyl)-4-(4-methylphenyl)-1,3-oxazole
CID 102468704
2-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-1-prop-2-enylguanidine
CID 136678047
N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-methylazetidin-3-amine
CID 66188313
4-[(4-fluorophenyl)sulfanylmethyl]-2-(4-methoxyphenyl)-1,3-oxazole
CID 55537742
2-(4-fluorophenyl)-4-(2-methylsulfonylethylsulfonylmethyl)-1,3-oxazole
CID 47563050

Frequently Asked Questions

What is the IUPAC name of 4-(azidomethyl)-2-(4-fluorophenyl)-1,3-oxazole?
The IUPAC name of 4-(azidomethyl)-2-(4-fluorophenyl)-1,3-oxazole (CID 61373650) is 4-(azidomethyl)-2-(4-fluorophenyl)-1,3-oxazole.
What is the SMILES notation for 4-(azidomethyl)-2-(4-fluorophenyl)-1,3-oxazole?
The canonical SMILES for 4-(azidomethyl)-2-(4-fluorophenyl)-1,3-oxazole is [N-]=[N+]=NCc1coc(-c2ccc(F)cc2)n1.
What is the InChIKey of 4-(azidomethyl)-2-(4-fluorophenyl)-1,3-oxazole?
The InChIKey is ADEDSQIRIHEREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN4O/c11-8-3-1-7(2-4-8)10-14-9(6-16-10)5-13-15-12/h1-4,6H,5H2.
What are the key properties of 4-(azidomethyl)-2-(4-fluorophenyl)-1,3-oxazole?
4-(azidomethyl)-2-(4-fluorophenyl)-1,3-oxazole has a molecular weight of 218.19 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azidomethyl)-2-(4-fluorophenyl)-1,3-oxazole is sourced from PubChem (CID 61373650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).