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

C17H12FN5O2 — CID 53169961

IUPAC3-[1-(4-fluorophenyl)triazol-4-yl]-5-(2-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1ccccc1-c1nc(-c2cn(-c3ccc(F)cc3)nn2)no1
InChIInChI=1S/C17H12FN5O2/c1-24-15-5-3-2-4-13(15)17-19-16(21-25-17)14-10-23(22-20-14)12-8-6-11(18)7-9-12/h2-10H,1H3
InChIKeyOCMNZMUBTLBNNR-UHFFFAOYSA-N
MW337.31 g/mol
LogP3.13
Rot. Bonds4

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

3-[1-(4-fluorophenyl)triazol-4-yl]-5-(2-methoxyphenyl)-1,2,4-oxadiazole (PubChem CID 53169961) has the molecular formula C17H12FN5O2 and a molecular weight of 337.31 g/mol. Its IUPAC name is 3-[1-(4-fluorophenyl)triazol-4-yl]-5-(2-methoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[1-(4-fluorophenyl)triazol-4-yl]-5-(2-methoxyphenyl)-1,2,4-oxadiazole
PubChem CID53169961
Molecular FormulaC17H12FN5O2
Molecular Weight337.31 g/mol
Exact Mass337.10
IUPAC Name3-[1-(4-fluorophenyl)triazol-4-yl]-5-(2-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1ccccc1-c1nc(-c2cn(-c3ccc(F)cc3)nn2)no1
InChIInChI=1S/C17H12FN5O2/c1-24-15-5-3-2-4-13(15)17-19-16(21-25-17)14-10-23(22-20-14)12-8-6-11(18)7-9-12/h2-10H,1H3
InChIKeyOCMNZMUBTLBNNR-UHFFFAOYSA-N
XLogP3.13
TPSA78.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.31
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-fluorophenyl)triazol-4-yl]-5-(2-methoxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-[1-(4-fluorophenyl)triazol-4-yl]-5-(2-methoxyphenyl)-1,2,4-oxadiazole (CID 53169961) is 3-[1-(4-fluorophenyl)triazol-4-yl]-5-(2-methoxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[1-(4-fluorophenyl)triazol-4-yl]-5-(2-methoxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[1-(4-fluorophenyl)triazol-4-yl]-5-(2-methoxyphenyl)-1,2,4-oxadiazole is COc1ccccc1-c1nc(-c2cn(-c3ccc(F)cc3)nn2)no1.
What is the InChIKey of 3-[1-(4-fluorophenyl)triazol-4-yl]-5-(2-methoxyphenyl)-1,2,4-oxadiazole?
The InChIKey is OCMNZMUBTLBNNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN5O2/c1-24-15-5-3-2-4-13(15)17-19-16(21-25-17)14-10-23(22-20-14)12-8-6-11(18)7-9-12/h2-10H,1H3.
What are the key properties of 3-[1-(4-fluorophenyl)triazol-4-yl]-5-(2-methoxyphenyl)-1,2,4-oxadiazole?
3-[1-(4-fluorophenyl)triazol-4-yl]-5-(2-methoxyphenyl)-1,2,4-oxadiazole has a molecular weight of 337.31 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-fluorophenyl)triazol-4-yl]-5-(2-methoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 53169961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).