2-(3-fluorophenyl)-5-[[2-(1H-1,2,4-triazol-5-yl)phenoxy]methyl]-1,3,4-oxadiazole

C17H12FN5O2 — CID 75388812

IUPAC2-(3-fluorophenyl)-5-[[2-(1H-1,2,4-triazol-5-yl)phenoxy]methyl]-1,3,4-oxadiazole
SMILESFc1cccc(-c2nnc(COc3ccccc3-c3ncn[nH]3)o2)c1
InChIInChI=1S/C17H12FN5O2/c18-12-5-3-4-11(8-12)17-23-21-15(25-17)9-24-14-7-2-1-6-13(14)16-19-10-20-22-16/h1-8,10H,9H2,(H,19,20,22)
InChIKeyRWXDKNHQPVGNTQ-UHFFFAOYSA-N
MW337.31 g/mol
LogP3.24
Rot. Bonds5

About 2-(3-fluorophenyl)-5-[[2-(1H-1,2,4-triazol-5-yl)phenoxy]methyl]-1,3,4-oxadiazole

2-(3-fluorophenyl)-5-[[2-(1H-1,2,4-triazol-5-yl)phenoxy]methyl]-1,3,4-oxadiazole (PubChem CID 75388812) has the molecular formula C17H12FN5O2 and a molecular weight of 337.31 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-5-[[2-(1H-1,2,4-triazol-5-yl)phenoxy]methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3-fluorophenyl)-5-[[2-(1H-1,2,4-triazol-5-yl)phenoxy]methyl]-1,3,4-oxadiazole
PubChem CID75388812
Molecular FormulaC17H12FN5O2
Molecular Weight337.31 g/mol
Exact Mass337.10
IUPAC Name2-(3-fluorophenyl)-5-[[2-(1H-1,2,4-triazol-5-yl)phenoxy]methyl]-1,3,4-oxadiazole
SMILESFc1cccc(-c2nnc(COc3ccccc3-c3ncn[nH]3)o2)c1
InChIInChI=1S/C17H12FN5O2/c18-12-5-3-4-11(8-12)17-23-21-15(25-17)9-24-14-7-2-1-6-13(14)16-19-10-20-22-16/h1-8,10H,9H2,(H,19,20,22)
InChIKeyRWXDKNHQPVGNTQ-UHFFFAOYSA-N
XLogP3.24
TPSA89.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.31
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-5-[[2-(1H-1,2,4-triazol-5-yl)phenoxy]methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(3-fluorophenyl)-5-[[2-(1H-1,2,4-triazol-5-yl)phenoxy]methyl]-1,3,4-oxadiazole (CID 75388812) is 2-(3-fluorophenyl)-5-[[2-(1H-1,2,4-triazol-5-yl)phenoxy]methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3-fluorophenyl)-5-[[2-(1H-1,2,4-triazol-5-yl)phenoxy]methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(3-fluorophenyl)-5-[[2-(1H-1,2,4-triazol-5-yl)phenoxy]methyl]-1,3,4-oxadiazole is Fc1cccc(-c2nnc(COc3ccccc3-c3ncn[nH]3)o2)c1.
What is the InChIKey of 2-(3-fluorophenyl)-5-[[2-(1H-1,2,4-triazol-5-yl)phenoxy]methyl]-1,3,4-oxadiazole?
The InChIKey is RWXDKNHQPVGNTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN5O2/c18-12-5-3-4-11(8-12)17-23-21-15(25-17)9-24-14-7-2-1-6-13(14)16-19-10-20-22-16/h1-8,10H,9H2,(H,19,20,22).
What are the key properties of 2-(3-fluorophenyl)-5-[[2-(1H-1,2,4-triazol-5-yl)phenoxy]methyl]-1,3,4-oxadiazole?
2-(3-fluorophenyl)-5-[[2-(1H-1,2,4-triazol-5-yl)phenoxy]methyl]-1,3,4-oxadiazole has a molecular weight of 337.31 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-5-[[2-(1H-1,2,4-triazol-5-yl)phenoxy]methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 75388812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).