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

C18H11F4N5O — CID 164717041

IUPAC2-(difluoromethyl)-5-[3-fluoro-5-[5-[(3-fluorophenyl)methyl]-1,2,4-triazol-1-yl]phenyl]-1,3,4-oxadiazole
SMILESFc1cccc(Cc2ncnn2-c2cc(F)cc(-c3nnc(C(F)F)o3)c2)c1
InChIInChI=1S/C18H11F4N5O/c19-12-3-1-2-10(4-12)5-15-23-9-24-27(15)14-7-11(6-13(20)8-14)17-25-26-18(28-17)16(21)22/h1-4,6-9,16H,5H2
InChIKeyOOOASOXGBRAFOA-UHFFFAOYSA-N
MW389.31 g/mol
LogP4.12
Rot. Bonds5

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

2-(difluoromethyl)-5-[3-fluoro-5-[5-[(3-fluorophenyl)methyl]-1,2,4-triazol-1-yl]phenyl]-1,3,4-oxadiazole (PubChem CID 164717041) has the molecular formula C18H11F4N5O and a molecular weight of 389.31 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-[3-fluoro-5-[5-[(3-fluorophenyl)methyl]-1,2,4-triazol-1-yl]phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(difluoromethyl)-5-[3-fluoro-5-[5-[(3-fluorophenyl)methyl]-1,2,4-triazol-1-yl]phenyl]-1,3,4-oxadiazole
PubChem CID164717041
Molecular FormulaC18H11F4N5O
Molecular Weight389.31 g/mol
Exact Mass389.09
IUPAC Name2-(difluoromethyl)-5-[3-fluoro-5-[5-[(3-fluorophenyl)methyl]-1,2,4-triazol-1-yl]phenyl]-1,3,4-oxadiazole
SMILESFc1cccc(Cc2ncnn2-c2cc(F)cc(-c3nnc(C(F)F)o3)c2)c1
InChIInChI=1S/C18H11F4N5O/c19-12-3-1-2-10(4-12)5-15-23-9-24-27(15)14-7-11(6-13(20)8-14)17-25-26-18(28-17)16(21)22/h1-4,6-9,16H,5H2
InChIKeyOOOASOXGBRAFOA-UHFFFAOYSA-N
XLogP4.12
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.31
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-[3-fluoro-5-[5-[(3-fluorophenyl)methyl]-1,2,4-triazol-1-yl]phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(difluoromethyl)-5-[3-fluoro-5-[5-[(3-fluorophenyl)methyl]-1,2,4-triazol-1-yl]phenyl]-1,3,4-oxadiazole (CID 164717041) is 2-(difluoromethyl)-5-[3-fluoro-5-[5-[(3-fluorophenyl)methyl]-1,2,4-triazol-1-yl]phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(difluoromethyl)-5-[3-fluoro-5-[5-[(3-fluorophenyl)methyl]-1,2,4-triazol-1-yl]phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(difluoromethyl)-5-[3-fluoro-5-[5-[(3-fluorophenyl)methyl]-1,2,4-triazol-1-yl]phenyl]-1,3,4-oxadiazole is Fc1cccc(Cc2ncnn2-c2cc(F)cc(-c3nnc(C(F)F)o3)c2)c1.
What is the InChIKey of 2-(difluoromethyl)-5-[3-fluoro-5-[5-[(3-fluorophenyl)methyl]-1,2,4-triazol-1-yl]phenyl]-1,3,4-oxadiazole?
The InChIKey is OOOASOXGBRAFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F4N5O/c19-12-3-1-2-10(4-12)5-15-23-9-24-27(15)14-7-11(6-13(20)8-14)17-25-26-18(28-17)16(21)22/h1-4,6-9,16H,5H2.
What are the key properties of 2-(difluoromethyl)-5-[3-fluoro-5-[5-[(3-fluorophenyl)methyl]-1,2,4-triazol-1-yl]phenyl]-1,3,4-oxadiazole?
2-(difluoromethyl)-5-[3-fluoro-5-[5-[(3-fluorophenyl)methyl]-1,2,4-triazol-1-yl]phenyl]-1,3,4-oxadiazole has a molecular weight of 389.31 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-[3-fluoro-5-[5-[(3-fluorophenyl)methyl]-1,2,4-triazol-1-yl]phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 164717041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).