2-(difluoromethyl)-5-[2-[(3,4-difluorophenoxy)methyl]pyrimidin-5-yl]-1,3,4-oxadiazole

C14H8F4N4O2 — CID 169290305

IUPAC2-(difluoromethyl)-5-[2-[(3,4-difluorophenoxy)methyl]pyrimidin-5-yl]-1,3,4-oxadiazole
SMILESFc1ccc(OCc2ncc(-c3nnc(C(F)F)o3)cn2)cc1F
InChIInChI=1S/C14H8F4N4O2/c15-9-2-1-8(3-10(9)16)23-6-11-19-4-7(5-20-11)13-21-22-14(24-13)12(17)18/h1-5,12H,6H2
InChIKeyBYFKNWDIWFPHIT-UHFFFAOYSA-N
MW340.24 g/mol
LogP3.32
Rot. Bonds5

About 2-(difluoromethyl)-5-[2-[(3,4-difluorophenoxy)methyl]pyrimidin-5-yl]-1,3,4-oxadiazole

2-(difluoromethyl)-5-[2-[(3,4-difluorophenoxy)methyl]pyrimidin-5-yl]-1,3,4-oxadiazole (PubChem CID 169290305) has the molecular formula C14H8F4N4O2 and a molecular weight of 340.24 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-[2-[(3,4-difluorophenoxy)methyl]pyrimidin-5-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(difluoromethyl)-5-[2-[(3,4-difluorophenoxy)methyl]pyrimidin-5-yl]-1,3,4-oxadiazole
PubChem CID169290305
Molecular FormulaC14H8F4N4O2
Molecular Weight340.24 g/mol
Exact Mass340.06
IUPAC Name2-(difluoromethyl)-5-[2-[(3,4-difluorophenoxy)methyl]pyrimidin-5-yl]-1,3,4-oxadiazole
SMILESFc1ccc(OCc2ncc(-c3nnc(C(F)F)o3)cn2)cc1F
InChIInChI=1S/C14H8F4N4O2/c15-9-2-1-8(3-10(9)16)23-6-11-19-4-7(5-20-11)13-21-22-14(24-13)12(17)18/h1-5,12H,6H2
InChIKeyBYFKNWDIWFPHIT-UHFFFAOYSA-N
XLogP3.32
TPSA73.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.24
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-[2-[(3,4-difluorophenoxy)methyl]pyrimidin-5-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-(difluoromethyl)-5-[2-[(3,4-difluorophenoxy)methyl]pyrimidin-5-yl]-1,3,4-oxadiazole (CID 169290305) is 2-(difluoromethyl)-5-[2-[(3,4-difluorophenoxy)methyl]pyrimidin-5-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(difluoromethyl)-5-[2-[(3,4-difluorophenoxy)methyl]pyrimidin-5-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(difluoromethyl)-5-[2-[(3,4-difluorophenoxy)methyl]pyrimidin-5-yl]-1,3,4-oxadiazole is Fc1ccc(OCc2ncc(-c3nnc(C(F)F)o3)cn2)cc1F.
What is the InChIKey of 2-(difluoromethyl)-5-[2-[(3,4-difluorophenoxy)methyl]pyrimidin-5-yl]-1,3,4-oxadiazole?
The InChIKey is BYFKNWDIWFPHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F4N4O2/c15-9-2-1-8(3-10(9)16)23-6-11-19-4-7(5-20-11)13-21-22-14(24-13)12(17)18/h1-5,12H,6H2.
What are the key properties of 2-(difluoromethyl)-5-[2-[(3,4-difluorophenoxy)methyl]pyrimidin-5-yl]-1,3,4-oxadiazole?
2-(difluoromethyl)-5-[2-[(3,4-difluorophenoxy)methyl]pyrimidin-5-yl]-1,3,4-oxadiazole has a molecular weight of 340.24 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-[2-[(3,4-difluorophenoxy)methyl]pyrimidin-5-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 169290305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).