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

C18H14FN5O — CID 16956609

IUPAC3-(2-fluorophenyl)-5-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-1,2,4-oxadiazole
SMILESCc1ccc(-n2nnc(-c3nc(-c4ccccc4F)no3)c2C)cc1
InChIInChI=1S/C18H14FN5O/c1-11-7-9-13(10-8-11)24-12(2)16(21-23-24)18-20-17(22-25-18)14-5-3-4-6-15(14)19/h3-10H,1-2H3
InChIKeyMBHQGPVVZBAAMT-UHFFFAOYSA-N
MW335.34 g/mol
LogP3.74
Rot. Bonds3

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

3-(2-fluorophenyl)-5-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-1,2,4-oxadiazole (PubChem CID 16956609) has the molecular formula C18H14FN5O and a molecular weight of 335.34 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-5-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-fluorophenyl)-5-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-1,2,4-oxadiazole
PubChem CID16956609
Molecular FormulaC18H14FN5O
Molecular Weight335.34 g/mol
Exact Mass335.12
IUPAC Name3-(2-fluorophenyl)-5-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-1,2,4-oxadiazole
SMILESCc1ccc(-n2nnc(-c3nc(-c4ccccc4F)no3)c2C)cc1
InChIInChI=1S/C18H14FN5O/c1-11-7-9-13(10-8-11)24-12(2)16(21-23-24)18-20-17(22-25-18)14-5-3-4-6-15(14)19/h3-10H,1-2H3
InChIKeyMBHQGPVVZBAAMT-UHFFFAOYSA-N
XLogP3.74
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-5-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(2-fluorophenyl)-5-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-1,2,4-oxadiazole (CID 16956609) is 3-(2-fluorophenyl)-5-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-fluorophenyl)-5-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-fluorophenyl)-5-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-1,2,4-oxadiazole is Cc1ccc(-n2nnc(-c3nc(-c4ccccc4F)no3)c2C)cc1.
What is the InChIKey of 3-(2-fluorophenyl)-5-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-1,2,4-oxadiazole?
The InChIKey is MBHQGPVVZBAAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN5O/c1-11-7-9-13(10-8-11)24-12(2)16(21-23-24)18-20-17(22-25-18)14-5-3-4-6-15(14)19/h3-10H,1-2H3.
What are the key properties of 3-(2-fluorophenyl)-5-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-1,2,4-oxadiazole?
3-(2-fluorophenyl)-5-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-1,2,4-oxadiazole has a molecular weight of 335.34 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-5-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 16956609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).