5-(3-fluorophenyl)-3-(1,2,4-triazol-1-ylmethyl)-1,2,4-oxadiazole

C11H8FN5O — CID 16736659

IUPAC5-(3-fluorophenyl)-3-(1,2,4-triazol-1-ylmethyl)-1,2,4-oxadiazole
SMILESFc1cccc(-c2nc(Cn3cncn3)no2)c1
InChIInChI=1S/C11H8FN5O/c12-9-3-1-2-8(4-9)11-15-10(16-18-11)5-17-7-13-6-14-17/h1-4,6-7H,5H2
InChIKeyCSBCCLRRKAOFPJ-UHFFFAOYSA-N
MW245.22 g/mol
LogP1.52
Rot. Bonds3

About 5-(3-fluorophenyl)-3-(1,2,4-triazol-1-ylmethyl)-1,2,4-oxadiazole

5-(3-fluorophenyl)-3-(1,2,4-triazol-1-ylmethyl)-1,2,4-oxadiazole (PubChem CID 16736659) has the molecular formula C11H8FN5O and a molecular weight of 245.22 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-3-(1,2,4-triazol-1-ylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3-fluorophenyl)-3-(1,2,4-triazol-1-ylmethyl)-1,2,4-oxadiazole
PubChem CID16736659
Molecular FormulaC11H8FN5O
Molecular Weight245.22 g/mol
Exact Mass245.07
IUPAC Name5-(3-fluorophenyl)-3-(1,2,4-triazol-1-ylmethyl)-1,2,4-oxadiazole
SMILESFc1cccc(-c2nc(Cn3cncn3)no2)c1
InChIInChI=1S/C11H8FN5O/c12-9-3-1-2-8(4-9)11-15-10(16-18-11)5-17-7-13-6-14-17/h1-4,6-7H,5H2
InChIKeyCSBCCLRRKAOFPJ-UHFFFAOYSA-N
XLogP1.52
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.22
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-3-(1,2,4-triazol-1-ylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(3-fluorophenyl)-3-(1,2,4-triazol-1-ylmethyl)-1,2,4-oxadiazole (CID 16736659) is 5-(3-fluorophenyl)-3-(1,2,4-triazol-1-ylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3-fluorophenyl)-3-(1,2,4-triazol-1-ylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(3-fluorophenyl)-3-(1,2,4-triazol-1-ylmethyl)-1,2,4-oxadiazole is Fc1cccc(-c2nc(Cn3cncn3)no2)c1.
What is the InChIKey of 5-(3-fluorophenyl)-3-(1,2,4-triazol-1-ylmethyl)-1,2,4-oxadiazole?
The InChIKey is CSBCCLRRKAOFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN5O/c12-9-3-1-2-8(4-9)11-15-10(16-18-11)5-17-7-13-6-14-17/h1-4,6-7H,5H2.
What are the key properties of 5-(3-fluorophenyl)-3-(1,2,4-triazol-1-ylmethyl)-1,2,4-oxadiazole?
5-(3-fluorophenyl)-3-(1,2,4-triazol-1-ylmethyl)-1,2,4-oxadiazole has a molecular weight of 245.22 g/mol, XLogP of 1.52, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-3-(1,2,4-triazol-1-ylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 16736659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).