1-[4-[5-[1-methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]imidazolidin-2-one

C22H18F3N7O3 — CID 150660059

IUPAC1-[4-[5-[1-methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]imidazolidin-2-one
SMILESCn1ncc(-c2nc(-c3ccc(N4CCNC4=O)cc3)no2)c1COc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C22H18F3N7O3/c1-31-17(12-34-18-7-4-14(10-27-18)22(23,24)25)16(11-28-31)20-29-19(30-35-20)13-2-5-15(6-3-13)32-9-8-26-21(32)33/h2-7,10-11H,8-9,12H2,1H3,(H,26,33)
InChIKeyJDRYAUDJGOYVMK-UHFFFAOYSA-N
MW485.43 g/mol
LogP3.66
Rot. Bonds6

About 1-[4-[5-[1-methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]imidazolidin-2-one

1-[4-[5-[1-methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]imidazolidin-2-one (PubChem CID 150660059) has the molecular formula C22H18F3N7O3 and a molecular weight of 485.43 g/mol. Its IUPAC name is 1-[4-[5-[1-methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[4-[5-[1-methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]imidazolidin-2-one
PubChem CID150660059
Molecular FormulaC22H18F3N7O3
Molecular Weight485.43 g/mol
Exact Mass485.14
IUPAC Name1-[4-[5-[1-methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]imidazolidin-2-one
SMILESCn1ncc(-c2nc(-c3ccc(N4CCNC4=O)cc3)no2)c1COc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C22H18F3N7O3/c1-31-17(12-34-18-7-4-14(10-27-18)22(23,24)25)16(11-28-31)20-29-19(30-35-20)13-2-5-15(6-3-13)32-9-8-26-21(32)33/h2-7,10-11H,8-9,12H2,1H3,(H,26,33)
InChIKeyJDRYAUDJGOYVMK-UHFFFAOYSA-N
XLogP3.66
TPSA111.20 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.43
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[4-[5-[1-methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]imidazolidin-2-one with MolForge

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Related Compounds

5-[5-[1-methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-1,3-dihydrobenzimidazol-2-one
CID 151291731
5-[1-methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrazol-4-yl]-3-[3-(1H-1,2,4-triazol-5-yl)phenyl]-1,2,4-oxadiazole
CID 71666039
3-[4-[(1-methyltetrazol-5-yl)methyl]phenyl]-5-[1-methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrazol-4-yl]-1,2,4-oxadiazole
CID 71666339
2-[3-[5-[1-methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]propan-2-ol
CID 59054227
5-[1-methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrazol-4-yl]-3-[3-[1-(2,2,2-triphenylethyl)-1,2,4-triazol-3-yl]phenyl]-1,2,4-oxadiazole
CID 151028769
5-(1-methyl-5-propylpyrazol-4-yl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 2807799
1-[4-[5-[6-(4-phenoxyphenoxy)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]phenyl]-1,3-diazinan-2-one
CID 166378743
1-[4-[5-[1-(trifluoromethyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]phenyl]-1,3-diazinan-2-one
CID 138058110
5-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 2808028
5-(3-methyl-4-pyridinyl)-3-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,2,4-oxadiazole
CID 59556754
4-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrazol-5-amine
CID 43627422
2-[1-methyl-5-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-1,3-oxazole
CID 172720092

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-[1-methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]imidazolidin-2-one?
The IUPAC name of 1-[4-[5-[1-methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]imidazolidin-2-one (CID 150660059) is 1-[4-[5-[1-methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]imidazolidin-2-one.
What is the SMILES notation for 1-[4-[5-[1-methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]imidazolidin-2-one?
The canonical SMILES for 1-[4-[5-[1-methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]imidazolidin-2-one is Cn1ncc(-c2nc(-c3ccc(N4CCNC4=O)cc3)no2)c1COc1ccc(C(F)(F)F)cn1.
What is the InChIKey of 1-[4-[5-[1-methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]imidazolidin-2-one?
The InChIKey is JDRYAUDJGOYVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N7O3/c1-31-17(12-34-18-7-4-14(10-27-18)22(23,24)25)16(11-28-31)20-29-19(30-35-20)13-2-5-15(6-3-13)32-9-8-26-21(32)33/h2-7,10-11H,8-9,12H2,1H3,(H,26,33).
What are the key properties of 1-[4-[5-[1-methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]imidazolidin-2-one?
1-[4-[5-[1-methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]imidazolidin-2-one has a molecular weight of 485.43 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-[1-methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]imidazolidin-2-one is sourced from PubChem (CID 150660059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).