1-(4-fluorophenyl)-5-methyl-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]-1,2,4-triazole-3-carboxamide

C18H13FN6O2 — CID 55557370

IUPAC1-(4-fluorophenyl)-5-methyl-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]-1,2,4-triazole-3-carboxamide
SMILESCc1nc(C(=O)Nc2ccc(-c3nnco3)cc2)nn1-c1ccc(F)cc1
InChIInChI=1S/C18H13FN6O2/c1-11-21-16(24-25(11)15-8-4-13(19)5-9-15)17(26)22-14-6-2-12(3-7-14)18-23-20-10-27-18/h2-10H,1H3,(H,22,26)
InChIKeyXRELPGNJKLWHSH-UHFFFAOYSA-N
MW364.34 g/mol
LogP3.02
Rot. Bonds4

About 1-(4-fluorophenyl)-5-methyl-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]-1,2,4-triazole-3-carboxamide

1-(4-fluorophenyl)-5-methyl-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]-1,2,4-triazole-3-carboxamide (PubChem CID 55557370) has the molecular formula C18H13FN6O2 and a molecular weight of 364.34 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-methyl-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-methyl-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]-1,2,4-triazole-3-carboxamide
PubChem CID55557370
Molecular FormulaC18H13FN6O2
Molecular Weight364.34 g/mol
Exact Mass364.11
IUPAC Name1-(4-fluorophenyl)-5-methyl-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]-1,2,4-triazole-3-carboxamide
SMILESCc1nc(C(=O)Nc2ccc(-c3nnco3)cc2)nn1-c1ccc(F)cc1
InChIInChI=1S/C18H13FN6O2/c1-11-21-16(24-25(11)15-8-4-13(19)5-9-15)17(26)22-14-6-2-12(3-7-14)18-23-20-10-27-18/h2-10H,1H3,(H,22,26)
InChIKeyXRELPGNJKLWHSH-UHFFFAOYSA-N
XLogP3.02
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.34
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-methyl-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-5-methyl-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]-1,2,4-triazole-3-carboxamide (CID 55557370) is 1-(4-fluorophenyl)-5-methyl-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-5-methyl-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-5-methyl-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]-1,2,4-triazole-3-carboxamide is Cc1nc(C(=O)Nc2ccc(-c3nnco3)cc2)nn1-c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-5-methyl-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]-1,2,4-triazole-3-carboxamide?
The InChIKey is XRELPGNJKLWHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN6O2/c1-11-21-16(24-25(11)15-8-4-13(19)5-9-15)17(26)22-14-6-2-12(3-7-14)18-23-20-10-27-18/h2-10H,1H3,(H,22,26).
What are the key properties of 1-(4-fluorophenyl)-5-methyl-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]-1,2,4-triazole-3-carboxamide?
1-(4-fluorophenyl)-5-methyl-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]-1,2,4-triazole-3-carboxamide has a molecular weight of 364.34 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-methyl-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 55557370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).