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

C19H16FN5O2 — CID 53170039

IUPAC5-(2-ethoxyphenyl)-3-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-1,2,4-oxadiazole
SMILESCCOc1ccccc1-c1nc(-c2cn(Cc3ccc(F)cc3)nn2)no1
InChIInChI=1S/C19H16FN5O2/c1-2-26-17-6-4-3-5-15(17)19-21-18(23-27-19)16-12-25(24-22-16)11-13-7-9-14(20)10-8-13/h3-10,12H,2,11H2,1H3
InChIKeyVRDBURTUSCWDBX-UHFFFAOYSA-N
MW365.37 g/mol
LogP3.58
Rot. Bonds6

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

5-(2-ethoxyphenyl)-3-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-1,2,4-oxadiazole (PubChem CID 53170039) has the molecular formula C19H16FN5O2 and a molecular weight of 365.37 g/mol. Its IUPAC name is 5-(2-ethoxyphenyl)-3-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-ethoxyphenyl)-3-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-1,2,4-oxadiazole
PubChem CID53170039
Molecular FormulaC19H16FN5O2
Molecular Weight365.37 g/mol
Exact Mass365.13
IUPAC Name5-(2-ethoxyphenyl)-3-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-1,2,4-oxadiazole
SMILESCCOc1ccccc1-c1nc(-c2cn(Cc3ccc(F)cc3)nn2)no1
InChIInChI=1S/C19H16FN5O2/c1-2-26-17-6-4-3-5-15(17)19-21-18(23-27-19)16-12-25(24-22-16)11-13-7-9-14(20)10-8-13/h3-10,12H,2,11H2,1H3
InChIKeyVRDBURTUSCWDBX-UHFFFAOYSA-N
XLogP3.58
TPSA78.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.37
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(2-ethoxyphenyl)-3-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-1,2,4-oxadiazole?
The IUPAC name of 5-(2-ethoxyphenyl)-3-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-1,2,4-oxadiazole (CID 53170039) is 5-(2-ethoxyphenyl)-3-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-ethoxyphenyl)-3-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-ethoxyphenyl)-3-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-1,2,4-oxadiazole is CCOc1ccccc1-c1nc(-c2cn(Cc3ccc(F)cc3)nn2)no1.
What is the InChIKey of 5-(2-ethoxyphenyl)-3-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-1,2,4-oxadiazole?
The InChIKey is VRDBURTUSCWDBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5O2/c1-2-26-17-6-4-3-5-15(17)19-21-18(23-27-19)16-12-25(24-22-16)11-13-7-9-14(20)10-8-13/h3-10,12H,2,11H2,1H3.
What are the key properties of 5-(2-ethoxyphenyl)-3-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-1,2,4-oxadiazole?
5-(2-ethoxyphenyl)-3-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-1,2,4-oxadiazole has a molecular weight of 365.37 g/mol, XLogP of 3.58, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethoxyphenyl)-3-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 53170039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).