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

C12H10FN5O — CID 53014959

IUPAC3-[1-[(3-fluorophenyl)methyl]triazol-4-yl]-5-methyl-1,2,4-oxadiazole
SMILESCc1nc(-c2cn(Cc3cccc(F)c3)nn2)no1
InChIInChI=1S/C12H10FN5O/c1-8-14-12(16-19-8)11-7-18(17-15-11)6-9-3-2-4-10(13)5-9/h2-5,7H,6H2,1H3
InChIKeyNZZFJCGABZMXIH-UHFFFAOYSA-N
MW259.24 g/mol
LogP1.82
Rot. Bonds3

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

3-[1-[(3-fluorophenyl)methyl]triazol-4-yl]-5-methyl-1,2,4-oxadiazole (PubChem CID 53014959) has the molecular formula C12H10FN5O and a molecular weight of 259.24 g/mol. Its IUPAC name is 3-[1-[(3-fluorophenyl)methyl]triazol-4-yl]-5-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[1-[(3-fluorophenyl)methyl]triazol-4-yl]-5-methyl-1,2,4-oxadiazole
PubChem CID53014959
Molecular FormulaC12H10FN5O
Molecular Weight259.24 g/mol
Exact Mass259.09
IUPAC Name3-[1-[(3-fluorophenyl)methyl]triazol-4-yl]-5-methyl-1,2,4-oxadiazole
SMILESCc1nc(-c2cn(Cc3cccc(F)c3)nn2)no1
InChIInChI=1S/C12H10FN5O/c1-8-14-12(16-19-8)11-7-18(17-15-11)6-9-3-2-4-10(13)5-9/h2-5,7H,6H2,1H3
InChIKeyNZZFJCGABZMXIH-UHFFFAOYSA-N
XLogP1.82
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.24
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[(3-fluorophenyl)methyl]triazol-4-yl]-5-methyl-1,2,4-oxadiazole?
The IUPAC name of 3-[1-[(3-fluorophenyl)methyl]triazol-4-yl]-5-methyl-1,2,4-oxadiazole (CID 53014959) is 3-[1-[(3-fluorophenyl)methyl]triazol-4-yl]-5-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[1-[(3-fluorophenyl)methyl]triazol-4-yl]-5-methyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[1-[(3-fluorophenyl)methyl]triazol-4-yl]-5-methyl-1,2,4-oxadiazole is Cc1nc(-c2cn(Cc3cccc(F)c3)nn2)no1.
What is the InChIKey of 3-[1-[(3-fluorophenyl)methyl]triazol-4-yl]-5-methyl-1,2,4-oxadiazole?
The InChIKey is NZZFJCGABZMXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN5O/c1-8-14-12(16-19-8)11-7-18(17-15-11)6-9-3-2-4-10(13)5-9/h2-5,7H,6H2,1H3.
What are the key properties of 3-[1-[(3-fluorophenyl)methyl]triazol-4-yl]-5-methyl-1,2,4-oxadiazole?
3-[1-[(3-fluorophenyl)methyl]triazol-4-yl]-5-methyl-1,2,4-oxadiazole has a molecular weight of 259.24 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(3-fluorophenyl)methyl]triazol-4-yl]-5-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 53014959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).