5-(3-fluoro-4-methylphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole

C15H10FN5O — CID 53173228

IUPAC5-(3-fluoro-4-methylphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole
SMILESCc1ccc(-c2nc(-c3ccc4nncn4c3)no2)cc1F
InChIInChI=1S/C15H10FN5O/c1-9-2-3-10(6-12(9)16)15-18-14(20-22-15)11-4-5-13-19-17-8-21(13)7-11/h2-8H,1H3
InChIKeyDUGUUNKYSGDWRD-UHFFFAOYSA-N
MW295.28 g/mol
LogP2.89
Rot. Bonds2

About 5-(3-fluoro-4-methylphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole

5-(3-fluoro-4-methylphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole (PubChem CID 53173228) has the molecular formula C15H10FN5O and a molecular weight of 295.28 g/mol. Its IUPAC name is 5-(3-fluoro-4-methylphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3-fluoro-4-methylphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole
PubChem CID53173228
Molecular FormulaC15H10FN5O
Molecular Weight295.28 g/mol
Exact Mass295.09
IUPAC Name5-(3-fluoro-4-methylphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole
SMILESCc1ccc(-c2nc(-c3ccc4nncn4c3)no2)cc1F
InChIInChI=1S/C15H10FN5O/c1-9-2-3-10(6-12(9)16)15-18-14(20-22-15)11-4-5-13-19-17-8-21(13)7-11/h2-8H,1H3
InChIKeyDUGUUNKYSGDWRD-UHFFFAOYSA-N
XLogP2.89
TPSA69.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.28
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-4-methylphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(3-fluoro-4-methylphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole (CID 53173228) is 5-(3-fluoro-4-methylphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3-fluoro-4-methylphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(3-fluoro-4-methylphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole is Cc1ccc(-c2nc(-c3ccc4nncn4c3)no2)cc1F.
What is the InChIKey of 5-(3-fluoro-4-methylphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole?
The InChIKey is DUGUUNKYSGDWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FN5O/c1-9-2-3-10(6-12(9)16)15-18-14(20-22-15)11-4-5-13-19-17-8-21(13)7-11/h2-8H,1H3.
What are the key properties of 5-(3-fluoro-4-methylphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole?
5-(3-fluoro-4-methylphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole has a molecular weight of 295.28 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-4-methylphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 53173228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).