3-(2,4-difluorophenyl)-5-[5-(methoxymethyl)-1-(2-methylphenyl)triazol-4-yl]-1,2,4-oxadiazole

C19H15F2N5O2 — CID 135245913

IUPAC3-(2,4-difluorophenyl)-5-[5-(methoxymethyl)-1-(2-methylphenyl)triazol-4-yl]-1,2,4-oxadiazole
SMILESCOCc1c(-c2nc(-c3ccc(F)cc3F)no2)nnn1-c1ccccc1C
InChIInChI=1S/C19H15F2N5O2/c1-11-5-3-4-6-15(11)26-16(10-27-2)17(23-25-26)19-22-18(24-28-19)13-8-7-12(20)9-14(13)21/h3-9H,10H2,1-2H3
InChIKeyOJDFOKOLVVTKLP-UHFFFAOYSA-N
MW383.36 g/mol
LogP3.72
Rot. Bonds5

About 3-(2,4-difluorophenyl)-5-[5-(methoxymethyl)-1-(2-methylphenyl)triazol-4-yl]-1,2,4-oxadiazole

3-(2,4-difluorophenyl)-5-[5-(methoxymethyl)-1-(2-methylphenyl)triazol-4-yl]-1,2,4-oxadiazole (PubChem CID 135245913) has the molecular formula C19H15F2N5O2 and a molecular weight of 383.36 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)-5-[5-(methoxymethyl)-1-(2-methylphenyl)triazol-4-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2,4-difluorophenyl)-5-[5-(methoxymethyl)-1-(2-methylphenyl)triazol-4-yl]-1,2,4-oxadiazole
PubChem CID135245913
Molecular FormulaC19H15F2N5O2
Molecular Weight383.36 g/mol
Exact Mass383.12
IUPAC Name3-(2,4-difluorophenyl)-5-[5-(methoxymethyl)-1-(2-methylphenyl)triazol-4-yl]-1,2,4-oxadiazole
SMILESCOCc1c(-c2nc(-c3ccc(F)cc3F)no2)nnn1-c1ccccc1C
InChIInChI=1S/C19H15F2N5O2/c1-11-5-3-4-6-15(11)26-16(10-27-2)17(23-25-26)19-22-18(24-28-19)13-8-7-12(20)9-14(13)21/h3-9H,10H2,1-2H3
InChIKeyOJDFOKOLVVTKLP-UHFFFAOYSA-N
XLogP3.72
TPSA78.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.36
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenyl)-5-[5-(methoxymethyl)-1-(2-methylphenyl)triazol-4-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(2,4-difluorophenyl)-5-[5-(methoxymethyl)-1-(2-methylphenyl)triazol-4-yl]-1,2,4-oxadiazole (CID 135245913) is 3-(2,4-difluorophenyl)-5-[5-(methoxymethyl)-1-(2-methylphenyl)triazol-4-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2,4-difluorophenyl)-5-[5-(methoxymethyl)-1-(2-methylphenyl)triazol-4-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(2,4-difluorophenyl)-5-[5-(methoxymethyl)-1-(2-methylphenyl)triazol-4-yl]-1,2,4-oxadiazole is COCc1c(-c2nc(-c3ccc(F)cc3F)no2)nnn1-c1ccccc1C.
What is the InChIKey of 3-(2,4-difluorophenyl)-5-[5-(methoxymethyl)-1-(2-methylphenyl)triazol-4-yl]-1,2,4-oxadiazole?
The InChIKey is OJDFOKOLVVTKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N5O2/c1-11-5-3-4-6-15(11)26-16(10-27-2)17(23-25-26)19-22-18(24-28-19)13-8-7-12(20)9-14(13)21/h3-9H,10H2,1-2H3.
What are the key properties of 3-(2,4-difluorophenyl)-5-[5-(methoxymethyl)-1-(2-methylphenyl)triazol-4-yl]-1,2,4-oxadiazole?
3-(2,4-difluorophenyl)-5-[5-(methoxymethyl)-1-(2-methylphenyl)triazol-4-yl]-1,2,4-oxadiazole has a molecular weight of 383.36 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenyl)-5-[5-(methoxymethyl)-1-(2-methylphenyl)triazol-4-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 135245913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).