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

C17H11F3N6O — CID 154665099

IUPAC2-(difluoromethyl)-5-[2-[2-[(3-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-4-pyridinyl]-1,3,4-oxadiazole
SMILESFc1cccc(Cn2ncnc2-c2cc(-c3nnc(C(F)F)o3)ccn2)c1
InChIInChI=1S/C17H11F3N6O/c18-12-3-1-2-10(6-12)8-26-15(22-9-23-26)13-7-11(4-5-21-13)16-24-25-17(27-16)14(19)20/h1-7,9,14H,8H2
InChIKeyVCGKJNRJESROJG-UHFFFAOYSA-N
MW372.31 g/mol
LogP3.52
Rot. Bonds5

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

2-(difluoromethyl)-5-[2-[2-[(3-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-4-pyridinyl]-1,3,4-oxadiazole (PubChem CID 154665099) has the molecular formula C17H11F3N6O and a molecular weight of 372.31 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-[2-[2-[(3-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-4-pyridinyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(difluoromethyl)-5-[2-[2-[(3-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-4-pyridinyl]-1,3,4-oxadiazole
PubChem CID154665099
Molecular FormulaC17H11F3N6O
Molecular Weight372.31 g/mol
Exact Mass372.09
IUPAC Name2-(difluoromethyl)-5-[2-[2-[(3-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-4-pyridinyl]-1,3,4-oxadiazole
SMILESFc1cccc(Cn2ncnc2-c2cc(-c3nnc(C(F)F)o3)ccn2)c1
InChIInChI=1S/C17H11F3N6O/c18-12-3-1-2-10(6-12)8-26-15(22-9-23-26)13-7-11(4-5-21-13)16-24-25-17(27-16)14(19)20/h1-7,9,14H,8H2
InChIKeyVCGKJNRJESROJG-UHFFFAOYSA-N
XLogP3.52
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.31
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-[2-[2-[(3-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-4-pyridinyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(difluoromethyl)-5-[2-[2-[(3-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-4-pyridinyl]-1,3,4-oxadiazole (CID 154665099) is 2-(difluoromethyl)-5-[2-[2-[(3-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-4-pyridinyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(difluoromethyl)-5-[2-[2-[(3-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-4-pyridinyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(difluoromethyl)-5-[2-[2-[(3-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-4-pyridinyl]-1,3,4-oxadiazole is Fc1cccc(Cn2ncnc2-c2cc(-c3nnc(C(F)F)o3)ccn2)c1.
What is the InChIKey of 2-(difluoromethyl)-5-[2-[2-[(3-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-4-pyridinyl]-1,3,4-oxadiazole?
The InChIKey is VCGKJNRJESROJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N6O/c18-12-3-1-2-10(6-12)8-26-15(22-9-23-26)13-7-11(4-5-21-13)16-24-25-17(27-16)14(19)20/h1-7,9,14H,8H2.
What are the key properties of 2-(difluoromethyl)-5-[2-[2-[(3-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-4-pyridinyl]-1,3,4-oxadiazole?
2-(difluoromethyl)-5-[2-[2-[(3-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-4-pyridinyl]-1,3,4-oxadiazole has a molecular weight of 372.31 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-[2-[2-[(3-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-4-pyridinyl]-1,3,4-oxadiazole is sourced from PubChem (CID 154665099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).