2-[1-(4-fluorophenyl)tetrazol-5-yl]-N-(5-methyl-1,2-oxazol-3-yl)ethanimine

C13H11FN6O — CID 51516723

IUPAC2-[1-(4-fluorophenyl)tetrazol-5-yl]-N-(5-methyl-1,2-oxazol-3-yl)ethanimine
SMILESCc1cc(/N=C/Cc2nnnn2-c2ccc(F)cc2)no1
InChIInChI=1S/C13H11FN6O/c1-9-8-12(17-21-9)15-7-6-13-16-18-19-20(13)11-4-2-10(14)3-5-11/h2-5,7-8H,6H2,1H3/b15-7+
InChIKeyUNJDYGOALSUVJF-VIZOYTHASA-N
MW286.27 g/mol
LogP2.04
Rot. Bonds4

About 2-[1-(4-fluorophenyl)tetrazol-5-yl]-N-(5-methyl-1,2-oxazol-3-yl)ethanimine

2-[1-(4-fluorophenyl)tetrazol-5-yl]-N-(5-methyl-1,2-oxazol-3-yl)ethanimine (PubChem CID 51516723) has the molecular formula C13H11FN6O and a molecular weight of 286.27 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)tetrazol-5-yl]-N-(5-methyl-1,2-oxazol-3-yl)ethanimine.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)tetrazol-5-yl]-N-(5-methyl-1,2-oxazol-3-yl)ethanimine
PubChem CID51516723
Molecular FormulaC13H11FN6O
Molecular Weight286.27 g/mol
Exact Mass286.10
IUPAC Name2-[1-(4-fluorophenyl)tetrazol-5-yl]-N-(5-methyl-1,2-oxazol-3-yl)ethanimine
SMILESCc1cc(/N=C/Cc2nnnn2-c2ccc(F)cc2)no1
InChIInChI=1S/C13H11FN6O/c1-9-8-12(17-21-9)15-7-6-13-16-18-19-20(13)11-4-2-10(14)3-5-11/h2-5,7-8H,6H2,1H3/b15-7+
InChIKeyUNJDYGOALSUVJF-VIZOYTHASA-N
XLogP2.04
TPSA81.99 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.27
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)tetrazol-5-yl]-N-(5-methyl-1,2-oxazol-3-yl)ethanimine?
The IUPAC name of 2-[1-(4-fluorophenyl)tetrazol-5-yl]-N-(5-methyl-1,2-oxazol-3-yl)ethanimine (CID 51516723) is 2-[1-(4-fluorophenyl)tetrazol-5-yl]-N-(5-methyl-1,2-oxazol-3-yl)ethanimine.
What is the SMILES notation for 2-[1-(4-fluorophenyl)tetrazol-5-yl]-N-(5-methyl-1,2-oxazol-3-yl)ethanimine?
The canonical SMILES for 2-[1-(4-fluorophenyl)tetrazol-5-yl]-N-(5-methyl-1,2-oxazol-3-yl)ethanimine is Cc1cc(/N=C/Cc2nnnn2-c2ccc(F)cc2)no1.
What is the InChIKey of 2-[1-(4-fluorophenyl)tetrazol-5-yl]-N-(5-methyl-1,2-oxazol-3-yl)ethanimine?
The InChIKey is UNJDYGOALSUVJF-VIZOYTHASA-N. The full InChI is InChI=1S/C13H11FN6O/c1-9-8-12(17-21-9)15-7-6-13-16-18-19-20(13)11-4-2-10(14)3-5-11/h2-5,7-8H,6H2,1H3/b15-7+.
What are the key properties of 2-[1-(4-fluorophenyl)tetrazol-5-yl]-N-(5-methyl-1,2-oxazol-3-yl)ethanimine?
2-[1-(4-fluorophenyl)tetrazol-5-yl]-N-(5-methyl-1,2-oxazol-3-yl)ethanimine has a molecular weight of 286.27 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenyl)tetrazol-5-yl]-N-(5-methyl-1,2-oxazol-3-yl)ethanimine is sourced from PubChem (CID 51516723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).