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

C19H15FN6O3 — CID 53170373

IUPAC3-[1-(4-fluorophenyl)triazol-4-yl]-N-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCOc1ccc(CNC(=O)c2nc(-c3cn(-c4ccc(F)cc4)nn3)no2)cc1
InChIInChI=1S/C19H15FN6O3/c1-28-15-8-2-12(3-9-15)10-21-18(27)19-22-17(24-29-19)16-11-26(25-23-16)14-6-4-13(20)5-7-14/h2-9,11H,10H2,1H3,(H,21,27)
InChIKeyWOYSHALUEOATOR-UHFFFAOYSA-N
MW394.37 g/mol
LogP2.39
Rot. Bonds6

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

3-[1-(4-fluorophenyl)triazol-4-yl]-N-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 53170373) has the molecular formula C19H15FN6O3 and a molecular weight of 394.37 g/mol. Its IUPAC name is 3-[1-(4-fluorophenyl)triazol-4-yl]-N-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-[1-(4-fluorophenyl)triazol-4-yl]-N-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
PubChem CID53170373
Molecular FormulaC19H15FN6O3
Molecular Weight394.37 g/mol
Exact Mass394.12
IUPAC Name3-[1-(4-fluorophenyl)triazol-4-yl]-N-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCOc1ccc(CNC(=O)c2nc(-c3cn(-c4ccc(F)cc4)nn3)no2)cc1
InChIInChI=1S/C19H15FN6O3/c1-28-15-8-2-12(3-9-15)10-21-18(27)19-22-17(24-29-19)16-11-26(25-23-16)14-6-4-13(20)5-7-14/h2-9,11H,10H2,1H3,(H,21,27)
InChIKeyWOYSHALUEOATOR-UHFFFAOYSA-N
XLogP2.39
TPSA107.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.37
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-fluorophenyl)triazol-4-yl]-N-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-[1-(4-fluorophenyl)triazol-4-yl]-N-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide (CID 53170373) is 3-[1-(4-fluorophenyl)triazol-4-yl]-N-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-[1-(4-fluorophenyl)triazol-4-yl]-N-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-[1-(4-fluorophenyl)triazol-4-yl]-N-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide is COc1ccc(CNC(=O)c2nc(-c3cn(-c4ccc(F)cc4)nn3)no2)cc1.
What is the InChIKey of 3-[1-(4-fluorophenyl)triazol-4-yl]-N-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is WOYSHALUEOATOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN6O3/c1-28-15-8-2-12(3-9-15)10-21-18(27)19-22-17(24-29-19)16-11-26(25-23-16)14-6-4-13(20)5-7-14/h2-9,11H,10H2,1H3,(H,21,27).
What are the key properties of 3-[1-(4-fluorophenyl)triazol-4-yl]-N-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide?
3-[1-(4-fluorophenyl)triazol-4-yl]-N-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 394.37 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-fluorophenyl)triazol-4-yl]-N-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 53170373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).