2-[4-(difluoromethoxy)phenyl]-5-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-1,3,4-oxadiazole

C17H10F5N5O2 — CID 19581957

IUPAC2-[4-(difluoromethoxy)phenyl]-5-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-1,3,4-oxadiazole
SMILESCc1cc(C(F)(F)F)n2nc(-c3nnc(-c4ccc(OC(F)F)cc4)o3)cc2n1
InChIInChI=1S/C17H10F5N5O2/c1-8-6-12(17(20,21)22)27-13(23-8)7-11(26-27)15-25-24-14(29-15)9-2-4-10(5-3-9)28-16(18)19/h2-7,16H,1H3
InChIKeyUWDQXLFVWGKIFZ-UHFFFAOYSA-N
MW411.29 g/mol
LogP4.37
Rot. Bonds4

About 2-[4-(difluoromethoxy)phenyl]-5-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-1,3,4-oxadiazole

2-[4-(difluoromethoxy)phenyl]-5-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-1,3,4-oxadiazole (PubChem CID 19581957) has the molecular formula C17H10F5N5O2 and a molecular weight of 411.29 g/mol. Its IUPAC name is 2-[4-(difluoromethoxy)phenyl]-5-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[4-(difluoromethoxy)phenyl]-5-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-1,3,4-oxadiazole
PubChem CID19581957
Molecular FormulaC17H10F5N5O2
Molecular Weight411.29 g/mol
Exact Mass411.08
IUPAC Name2-[4-(difluoromethoxy)phenyl]-5-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-1,3,4-oxadiazole
SMILESCc1cc(C(F)(F)F)n2nc(-c3nnc(-c4ccc(OC(F)F)cc4)o3)cc2n1
InChIInChI=1S/C17H10F5N5O2/c1-8-6-12(17(20,21)22)27-13(23-8)7-11(26-27)15-25-24-14(29-15)9-2-4-10(5-3-9)28-16(18)19/h2-7,16H,1H3
InChIKeyUWDQXLFVWGKIFZ-UHFFFAOYSA-N
XLogP4.37
TPSA78.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.29
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethoxy)phenyl]-5-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-[4-(difluoromethoxy)phenyl]-5-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-1,3,4-oxadiazole (CID 19581957) is 2-[4-(difluoromethoxy)phenyl]-5-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[4-(difluoromethoxy)phenyl]-5-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[4-(difluoromethoxy)phenyl]-5-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-1,3,4-oxadiazole is Cc1cc(C(F)(F)F)n2nc(-c3nnc(-c4ccc(OC(F)F)cc4)o3)cc2n1.
What is the InChIKey of 2-[4-(difluoromethoxy)phenyl]-5-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-1,3,4-oxadiazole?
The InChIKey is UWDQXLFVWGKIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F5N5O2/c1-8-6-12(17(20,21)22)27-13(23-8)7-11(26-27)15-25-24-14(29-15)9-2-4-10(5-3-9)28-16(18)19/h2-7,16H,1H3.
What are the key properties of 2-[4-(difluoromethoxy)phenyl]-5-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-1,3,4-oxadiazole?
2-[4-(difluoromethoxy)phenyl]-5-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-1,3,4-oxadiazole has a molecular weight of 411.29 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethoxy)phenyl]-5-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 19581957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).