2-(difluoromethyl)-5-[2-[1-(2,5-difluorophenyl)cyclobutyl]oxypyrimidin-5-yl]-1,3,4-oxadiazole

C17H12F4N4O2 — CID 162518671

IUPAC2-(difluoromethyl)-5-[2-[1-(2,5-difluorophenyl)cyclobutyl]oxypyrimidin-5-yl]-1,3,4-oxadiazole
SMILESFc1ccc(F)c(C2(Oc3ncc(-c4nnc(C(F)F)o4)cn3)CCC2)c1
InChIInChI=1S/C17H12F4N4O2/c18-10-2-3-12(19)11(6-10)17(4-1-5-17)27-16-22-7-9(8-23-16)14-24-25-15(26-14)13(20)21/h2-3,6-8,13H,1,4-5H2
InChIKeyMMMANTHCTKNZCA-UHFFFAOYSA-N
MW380.30 g/mol
LogP4.20
Rot. Bonds5

About 2-(difluoromethyl)-5-[2-[1-(2,5-difluorophenyl)cyclobutyl]oxypyrimidin-5-yl]-1,3,4-oxadiazole

2-(difluoromethyl)-5-[2-[1-(2,5-difluorophenyl)cyclobutyl]oxypyrimidin-5-yl]-1,3,4-oxadiazole (PubChem CID 162518671) has the molecular formula C17H12F4N4O2 and a molecular weight of 380.30 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-[2-[1-(2,5-difluorophenyl)cyclobutyl]oxypyrimidin-5-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(difluoromethyl)-5-[2-[1-(2,5-difluorophenyl)cyclobutyl]oxypyrimidin-5-yl]-1,3,4-oxadiazole
PubChem CID162518671
Molecular FormulaC17H12F4N4O2
Molecular Weight380.30 g/mol
Exact Mass380.09
IUPAC Name2-(difluoromethyl)-5-[2-[1-(2,5-difluorophenyl)cyclobutyl]oxypyrimidin-5-yl]-1,3,4-oxadiazole
SMILESFc1ccc(F)c(C2(Oc3ncc(-c4nnc(C(F)F)o4)cn3)CCC2)c1
InChIInChI=1S/C17H12F4N4O2/c18-10-2-3-12(19)11(6-10)17(4-1-5-17)27-16-22-7-9(8-23-16)14-24-25-15(26-14)13(20)21/h2-3,6-8,13H,1,4-5H2
InChIKeyMMMANTHCTKNZCA-UHFFFAOYSA-N
XLogP4.20
TPSA73.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.30
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-(2,4,5-trifluorophenyl)cyclobutyl]pyrimidin-2-amine
CID 129032722
2-(difluoromethyl)-5-[2-[(1R)-1-(4-fluorophenyl)ethoxy]pyrimidin-5-yl]-1,3,4-oxadiazole
CID 162518629
5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-[2-fluoro-5-(trifluoromethoxy)phenyl]cyclopropyl]pyrimidin-2-amine
CID 135321055
2-(difluoromethyl)-5-[2-[[1-(2,6-difluorophenyl)cyclobutyl]methyl]pyrimidin-5-yl]-1,3,4-oxadiazole
CID 158256383
N-[1-(3-chloro-4-fluorophenyl)cyclopropyl]-5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine
CID 129032936
5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-(3-fluorophenyl)cyclopropyl]pyrimidin-2-amine
CID 129032895
5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-(4-ethoxy-2-fluorophenyl)cyclopropyl]pyrimidin-2-amine
CID 147955243
5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-[3-(4-fluorophenyl)phenyl]cyclopropyl]pyrimidin-2-amine
CID 135320997
N-[1-(2-chlorophenyl)cyclobutyl]-5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine
CID 129032716
N-[1-(3-chlorophenyl)cyclobutyl]-5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine;ethane
CID 145295765
4-[1-(2-chloro-4-fluorophenyl)cyclobutyl]-5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine
CID 172728363
2-(difluoromethyl)-5-(3-fluoro-4-methylphenyl)-1,3,4-oxadiazole
CID 126507083

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-[2-[1-(2,5-difluorophenyl)cyclobutyl]oxypyrimidin-5-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-(difluoromethyl)-5-[2-[1-(2,5-difluorophenyl)cyclobutyl]oxypyrimidin-5-yl]-1,3,4-oxadiazole (CID 162518671) is 2-(difluoromethyl)-5-[2-[1-(2,5-difluorophenyl)cyclobutyl]oxypyrimidin-5-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(difluoromethyl)-5-[2-[1-(2,5-difluorophenyl)cyclobutyl]oxypyrimidin-5-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(difluoromethyl)-5-[2-[1-(2,5-difluorophenyl)cyclobutyl]oxypyrimidin-5-yl]-1,3,4-oxadiazole is Fc1ccc(F)c(C2(Oc3ncc(-c4nnc(C(F)F)o4)cn3)CCC2)c1.
What is the InChIKey of 2-(difluoromethyl)-5-[2-[1-(2,5-difluorophenyl)cyclobutyl]oxypyrimidin-5-yl]-1,3,4-oxadiazole?
The InChIKey is MMMANTHCTKNZCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F4N4O2/c18-10-2-3-12(19)11(6-10)17(4-1-5-17)27-16-22-7-9(8-23-16)14-24-25-15(26-14)13(20)21/h2-3,6-8,13H,1,4-5H2.
What are the key properties of 2-(difluoromethyl)-5-[2-[1-(2,5-difluorophenyl)cyclobutyl]oxypyrimidin-5-yl]-1,3,4-oxadiazole?
2-(difluoromethyl)-5-[2-[1-(2,5-difluorophenyl)cyclobutyl]oxypyrimidin-5-yl]-1,3,4-oxadiazole has a molecular weight of 380.30 g/mol, XLogP of 4.20, 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-[1-(2,5-difluorophenyl)cyclobutyl]oxypyrimidin-5-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 162518671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).