N-[(4-fluorophenyl)methyl]-3-(1-phenyltriazol-4-yl)-1,2,4-oxadiazole-5-carboxamide

C18H13FN6O2 — CID 53170354

IUPACN-[(4-fluorophenyl)methyl]-3-(1-phenyltriazol-4-yl)-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1nc(-c2cn(-c3ccccc3)nn2)no1
InChIInChI=1S/C18H13FN6O2/c19-13-8-6-12(7-9-13)10-20-17(26)18-21-16(23-27-18)15-11-25(24-22-15)14-4-2-1-3-5-14/h1-9,11H,10H2,(H,20,26)
InChIKeyLWAYYFPICWADDZ-UHFFFAOYSA-N
MW364.34 g/mol
LogP2.39
Rot. Bonds5

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

N-[(4-fluorophenyl)methyl]-3-(1-phenyltriazol-4-yl)-1,2,4-oxadiazole-5-carboxamide (PubChem CID 53170354) has the molecular formula C18H13FN6O2 and a molecular weight of 364.34 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-(1-phenyltriazol-4-yl)-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-(1-phenyltriazol-4-yl)-1,2,4-oxadiazole-5-carboxamide
PubChem CID53170354
Molecular FormulaC18H13FN6O2
Molecular Weight364.34 g/mol
Exact Mass364.11
IUPAC NameN-[(4-fluorophenyl)methyl]-3-(1-phenyltriazol-4-yl)-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1nc(-c2cn(-c3ccccc3)nn2)no1
InChIInChI=1S/C18H13FN6O2/c19-13-8-6-12(7-9-13)10-20-17(26)18-21-16(23-27-18)15-11-25(24-22-15)14-4-2-1-3-5-14/h1-9,11H,10H2,(H,20,26)
InChIKeyLWAYYFPICWADDZ-UHFFFAOYSA-N
XLogP2.39
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.34
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(4-ethylphenyl)methyl]-3-[1-(3-fluorophenyl)triazol-4-yl]-1,2,4-oxadiazole-5-carboxamide
CID 53170381
N-[(2-chlorophenyl)methyl]-3-[1-(3-fluorophenyl)triazol-4-yl]-1,2,4-oxadiazole-5-carboxamide
CID 53170384
3-[1-(3-fluorophenyl)triazol-4-yl]-N-phenyl-1,2,4-oxadiazole-5-carboxamide
CID 53170273
3-[1-(4-chlorophenyl)triazol-4-yl]-N-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 53170395
N-benzyl-3-(4-fluorophenyl)-5-[1-(4-fluorophenyl)triazol-4-yl]benzamide
CID 166398637
3-[1-(4-chlorophenyl)triazol-4-yl]-N-propyl-1,2,4-oxadiazole-5-carboxamide
CID 53170387
N-(3,4-dimethylphenyl)-3-[1-(3-fluorophenyl)triazol-4-yl]-1,2,4-oxadiazole-5-carboxamide
CID 53170276
N-(4-methylphenyl)-3-[1-(4-methylphenyl)triazol-4-yl]-1,2,4-oxadiazole-5-carboxamide
CID 53170232
3-[1-(4-fluorophenyl)triazol-4-yl]-5-isoquinolin-1-yl-1,2,4-oxadiazole
CID 53169948
N-[(4-fluorophenyl)methyl]-3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazole-5-carboxamide
CID 50827954
N-benzyl-3-[1-(4-bromophenyl)-3-methylpyrazol-4-yl]-1,2,4-oxadiazole-5-carboxamide
CID 20931756
3-phenyl-N-(pyridin-4-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
CID 6472637

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-(1-phenyltriazol-4-yl)-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-(1-phenyltriazol-4-yl)-1,2,4-oxadiazole-5-carboxamide (CID 53170354) is N-[(4-fluorophenyl)methyl]-3-(1-phenyltriazol-4-yl)-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-(1-phenyltriazol-4-yl)-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-(1-phenyltriazol-4-yl)-1,2,4-oxadiazole-5-carboxamide is O=C(NCc1ccc(F)cc1)c1nc(-c2cn(-c3ccccc3)nn2)no1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-(1-phenyltriazol-4-yl)-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is LWAYYFPICWADDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN6O2/c19-13-8-6-12(7-9-13)10-20-17(26)18-21-16(23-27-18)15-11-25(24-22-15)14-4-2-1-3-5-14/h1-9,11H,10H2,(H,20,26).
What are the key properties of N-[(4-fluorophenyl)methyl]-3-(1-phenyltriazol-4-yl)-1,2,4-oxadiazole-5-carboxamide?
N-[(4-fluorophenyl)methyl]-3-(1-phenyltriazol-4-yl)-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 364.34 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-(1-phenyltriazol-4-yl)-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 53170354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).