2-(difluoromethyl)-5-[2-[[1-(2,6-difluorophenyl)cyclobutyl]methyl]pyrimidin-5-yl]-1,3,4-oxadiazole

C18H14F4N4O — CID 158256383

IUPAC2-(difluoromethyl)-5-[2-[[1-(2,6-difluorophenyl)cyclobutyl]methyl]pyrimidin-5-yl]-1,3,4-oxadiazole
SMILESFc1cccc(F)c1C1(Cc2ncc(-c3nnc(C(F)F)o3)cn2)CCC1
InChIInChI=1S/C18H14F4N4O/c19-11-3-1-4-12(20)14(11)18(5-2-6-18)7-13-23-8-10(9-24-13)16-25-26-17(27-16)15(21)22/h1,3-4,8-9,15H,2,5-7H2
InChIKeyGHIKTXMEWYTNAZ-UHFFFAOYSA-N
MW378.33 g/mol
LogP4.41
Rot. Bonds5

About 2-(difluoromethyl)-5-[2-[[1-(2,6-difluorophenyl)cyclobutyl]methyl]pyrimidin-5-yl]-1,3,4-oxadiazole

2-(difluoromethyl)-5-[2-[[1-(2,6-difluorophenyl)cyclobutyl]methyl]pyrimidin-5-yl]-1,3,4-oxadiazole (PubChem CID 158256383) has the molecular formula C18H14F4N4O and a molecular weight of 378.33 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-[2-[[1-(2,6-difluorophenyl)cyclobutyl]methyl]pyrimidin-5-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(difluoromethyl)-5-[2-[[1-(2,6-difluorophenyl)cyclobutyl]methyl]pyrimidin-5-yl]-1,3,4-oxadiazole
PubChem CID158256383
Molecular FormulaC18H14F4N4O
Molecular Weight378.33 g/mol
Exact Mass378.11
IUPAC Name2-(difluoromethyl)-5-[2-[[1-(2,6-difluorophenyl)cyclobutyl]methyl]pyrimidin-5-yl]-1,3,4-oxadiazole
SMILESFc1cccc(F)c1C1(Cc2ncc(-c3nnc(C(F)F)o3)cn2)CCC1
InChIInChI=1S/C18H14F4N4O/c19-11-3-1-4-12(20)14(11)18(5-2-6-18)7-13-23-8-10(9-24-13)16-25-26-17(27-16)15(21)22/h1,3-4,8-9,15H,2,5-7H2
InChIKeyGHIKTXMEWYTNAZ-UHFFFAOYSA-N
XLogP4.41
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.33
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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-[(1S)-1-(2,6-difluorophenyl)ethyl]pyrimidin-2-amine
CID 146676715
5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[(1R)-1-(2,6-difluorophenyl)ethyl]pyrimidin-2-amine
CID 146676716
5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-(3-methylphenyl)cyclobutyl]pyrimidin-2-amine
CID 129032671
2-(difluoromethyl)-5-[2-[1-(2,5-difluorophenyl)cyclobutyl]oxypyrimidin-5-yl]-1,3,4-oxadiazole
CID 162518671
2-[2-[[1-(4-fluorophenyl)cyclobutyl]methyl]pyrimidin-5-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole
CID 147772733
N-[1-(3-chlorophenyl)cyclobutyl]-5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine;ethane
CID 145295765
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-phenylpyrimidin-5-yl)-1,3,4-oxadiazole
CID 162351204
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
2-[2-[[1-(2-chlorophenyl)cyclobutyl]methyl]pyrimidin-5-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole
CID 161312583

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-[2-[[1-(2,6-difluorophenyl)cyclobutyl]methyl]pyrimidin-5-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-(difluoromethyl)-5-[2-[[1-(2,6-difluorophenyl)cyclobutyl]methyl]pyrimidin-5-yl]-1,3,4-oxadiazole (CID 158256383) is 2-(difluoromethyl)-5-[2-[[1-(2,6-difluorophenyl)cyclobutyl]methyl]pyrimidin-5-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(difluoromethyl)-5-[2-[[1-(2,6-difluorophenyl)cyclobutyl]methyl]pyrimidin-5-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(difluoromethyl)-5-[2-[[1-(2,6-difluorophenyl)cyclobutyl]methyl]pyrimidin-5-yl]-1,3,4-oxadiazole is Fc1cccc(F)c1C1(Cc2ncc(-c3nnc(C(F)F)o3)cn2)CCC1.
What is the InChIKey of 2-(difluoromethyl)-5-[2-[[1-(2,6-difluorophenyl)cyclobutyl]methyl]pyrimidin-5-yl]-1,3,4-oxadiazole?
The InChIKey is GHIKTXMEWYTNAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F4N4O/c19-11-3-1-4-12(20)14(11)18(5-2-6-18)7-13-23-8-10(9-24-13)16-25-26-17(27-16)15(21)22/h1,3-4,8-9,15H,2,5-7H2.
What are the key properties of 2-(difluoromethyl)-5-[2-[[1-(2,6-difluorophenyl)cyclobutyl]methyl]pyrimidin-5-yl]-1,3,4-oxadiazole?
2-(difluoromethyl)-5-[2-[[1-(2,6-difluorophenyl)cyclobutyl]methyl]pyrimidin-5-yl]-1,3,4-oxadiazole has a molecular weight of 378.33 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-[2-[[1-(2,6-difluorophenyl)cyclobutyl]methyl]pyrimidin-5-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 158256383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).