2-[4-[5-[5-(3,4-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide

C25H19F3N6O3 — CID 19332436

IUPAC2-[4-[5-[5-(3,4-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
SMILESCc1ccc(-c2cc(C(F)(F)F)n3nc(-c4nc(-c5ccc(OCC(N)=O)cc5)no4)cc3n2)cc1C
InChIInChI=1S/C25H19F3N6O3/c1-13-3-4-16(9-14(13)2)18-10-20(25(26,27)28)34-22(30-18)11-19(32-34)24-31-23(33-37-24)15-5-7-17(8-6-15)36-12-21(29)35/h3-11H,12H2,1-2H3,(H2,29,35)
InChIKeyNOAGOKQWFLRSFU-UHFFFAOYSA-N
MW508.46 g/mol
LogP4.61
Rot. Bonds6

About 2-[4-[5-[5-(3,4-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide

2-[4-[5-[5-(3,4-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide (PubChem CID 19332436) has the molecular formula C25H19F3N6O3 and a molecular weight of 508.46 g/mol. Its IUPAC name is 2-[4-[5-[5-(3,4-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[5-[5-(3,4-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
PubChem CID19332436
Molecular FormulaC25H19F3N6O3
Molecular Weight508.46 g/mol
Exact Mass508.15
IUPAC Name2-[4-[5-[5-(3,4-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
SMILESCc1ccc(-c2cc(C(F)(F)F)n3nc(-c4nc(-c5ccc(OCC(N)=O)cc5)no4)cc3n2)cc1C
InChIInChI=1S/C25H19F3N6O3/c1-13-3-4-16(9-14(13)2)18-10-20(25(26,27)28)34-22(30-18)11-19(32-34)24-31-23(33-37-24)15-5-7-17(8-6-15)36-12-21(29)35/h3-11H,12H2,1-2H3,(H2,29,35)
InChIKeyNOAGOKQWFLRSFU-UHFFFAOYSA-N
XLogP4.61
TPSA121.43 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.46
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[4-[5-[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 19332441
2-[4-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 19328480
2-[5-(3,4-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-5-phenyl-1,3,4-oxadiazole
CID 4773660
2-[4-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 19328687
[(Z)-[amino(phenyl)methylidene]amino] 5-(3,4-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 19290195
2-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 19328748
2-[4-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 19328474
[(Z)-[amino-(4-fluorophenyl)methylidene]amino] 5-(3,4-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 19292047
2-[4-[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 19328461
5-(3,4-dimethylphenyl)-N-(1,3-dimethylpyrazol-4-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19346278
N-(3,4-dimethylphenyl)-2-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 25237785
2-[4-[5-[4-[(4-chloro-3-methylphenoxy)methyl]phenyl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 19328648

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-[5-(3,4-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide?
The IUPAC name of 2-[4-[5-[5-(3,4-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide (CID 19332436) is 2-[4-[5-[5-(3,4-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide.
What is the SMILES notation for 2-[4-[5-[5-(3,4-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide?
The canonical SMILES for 2-[4-[5-[5-(3,4-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide is Cc1ccc(-c2cc(C(F)(F)F)n3nc(-c4nc(-c5ccc(OCC(N)=O)cc5)no4)cc3n2)cc1C.
What is the InChIKey of 2-[4-[5-[5-(3,4-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide?
The InChIKey is NOAGOKQWFLRSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F3N6O3/c1-13-3-4-16(9-14(13)2)18-10-20(25(26,27)28)34-22(30-18)11-19(32-34)24-31-23(33-37-24)15-5-7-17(8-6-15)36-12-21(29)35/h3-11H,12H2,1-2H3,(H2,29,35).
What are the key properties of 2-[4-[5-[5-(3,4-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide?
2-[4-[5-[5-(3,4-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide has a molecular weight of 508.46 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-[5-(3,4-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide is sourced from PubChem (CID 19332436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).