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

C24H17F3N6O4 — CID 19332441

IUPAC2-[4-[5-[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
SMILESCOc1ccc(-c2cc(C(F)(F)F)n3ncc(-c4nc(-c5ccc(OCC(N)=O)cc5)no4)c3n2)cc1
InChIInChI=1S/C24H17F3N6O4/c1-35-15-6-2-13(3-7-15)18-10-19(24(25,26)27)33-22(30-18)17(11-29-33)23-31-21(32-37-23)14-4-8-16(9-5-14)36-12-20(28)34/h2-11H,12H2,1H3,(H2,28,34)
InChIKeyFMPMNQJXWAFXAK-UHFFFAOYSA-N
MW510.43 g/mol
LogP4.00
Rot. Bonds7

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

2-[4-[5-[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide (PubChem CID 19332441) has the molecular formula C24H17F3N6O4 and a molecular weight of 510.43 g/mol. Its IUPAC name is 2-[4-[5-[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[5-[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
PubChem CID19332441
Molecular FormulaC24H17F3N6O4
Molecular Weight510.43 g/mol
Exact Mass510.13
IUPAC Name2-[4-[5-[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
SMILESCOc1ccc(-c2cc(C(F)(F)F)n3ncc(-c4nc(-c5ccc(OCC(N)=O)cc5)no4)c3n2)cc1
InChIInChI=1S/C24H17F3N6O4/c1-35-15-6-2-13(3-7-15)18-10-19(24(25,26)27)33-22(30-18)17(11-29-33)23-31-21(32-37-23)14-4-8-16(9-5-14)36-12-20(28)34/h2-11H,12H2,1H3,(H2,28,34)
InChIKeyFMPMNQJXWAFXAK-UHFFFAOYSA-N
XLogP4.00
TPSA130.66 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.43
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

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
2-[4-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 19328687
2-[4-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 19328480
[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-piperidin-1-ylmethanone
CID 1111010
5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 650903
N-[(2R)-butan-2-yl]-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1111013
2-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 19328748
5-(4-methoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19292669
2-[4-[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 19328461
2-[4-[5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 19328496
2-[4-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 19328474
(2S)-2-[[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-3-methylbutanoic acid
CID 148542991

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide?
The IUPAC name of 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) is 2-[4-[5-[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide.
What is the SMILES notation for 2-[4-[5-[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide?
The canonical SMILES for 2-[4-[5-[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide is COc1ccc(-c2cc(C(F)(F)F)n3ncc(-c4nc(-c5ccc(OCC(N)=O)cc5)no4)c3n2)cc1.
What is the InChIKey of 2-[4-[5-[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide?
The InChIKey is FMPMNQJXWAFXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F3N6O4/c1-35-15-6-2-13(3-7-15)18-10-19(24(25,26)27)33-22(30-18)17(11-29-33)23-31-21(32-37-23)14-4-8-16(9-5-14)36-12-20(28)34/h2-11H,12H2,1H3,(H2,28,34).
What are the key properties of 2-[4-[5-[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide?
2-[4-[5-[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide has a molecular weight of 510.43 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide is sourced from PubChem (CID 19332441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).