5-(3-bromo-4-fluorophenyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole

C10H5BrFN5O — CID 113245529

IUPAC5-(3-bromo-4-fluorophenyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
SMILESFc1ccc(-c2nc(-c3ncn[nH]3)no2)cc1Br
InChIInChI=1S/C10H5BrFN5O/c11-6-3-5(1-2-7(6)12)10-15-9(17-18-10)8-13-4-14-16-8/h1-4H,(H,13,14,16)
InChIKeyKRHSJOKHPOJUKG-UHFFFAOYSA-N
MW310.09 g/mol
LogP2.42
Rot. Bonds2

About 5-(3-bromo-4-fluorophenyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole

5-(3-bromo-4-fluorophenyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole (PubChem CID 113245529) has the molecular formula C10H5BrFN5O and a molecular weight of 310.09 g/mol. Its IUPAC name is 5-(3-bromo-4-fluorophenyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3-bromo-4-fluorophenyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
PubChem CID113245529
Molecular FormulaC10H5BrFN5O
Molecular Weight310.09 g/mol
Exact Mass308.97
IUPAC Name5-(3-bromo-4-fluorophenyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
SMILESFc1ccc(-c2nc(-c3ncn[nH]3)no2)cc1Br
InChIInChI=1S/C10H5BrFN5O/c11-6-3-5(1-2-7(6)12)10-15-9(17-18-10)8-13-4-14-16-8/h1-4H,(H,13,14,16)
InChIKeyKRHSJOKHPOJUKG-UHFFFAOYSA-N
XLogP2.42
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.09
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-bromo-4-fluorophenyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(3-bromo-4-fluorophenyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole (CID 113245529) is 5-(3-bromo-4-fluorophenyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3-bromo-4-fluorophenyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(3-bromo-4-fluorophenyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole is Fc1ccc(-c2nc(-c3ncn[nH]3)no2)cc1Br.
What is the InChIKey of 5-(3-bromo-4-fluorophenyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole?
The InChIKey is KRHSJOKHPOJUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrFN5O/c11-6-3-5(1-2-7(6)12)10-15-9(17-18-10)8-13-4-14-16-8/h1-4H,(H,13,14,16).
What are the key properties of 5-(3-bromo-4-fluorophenyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole?
5-(3-bromo-4-fluorophenyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole has a molecular weight of 310.09 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromo-4-fluorophenyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 113245529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).