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

C20H14F3N7O3 — CID 151291731

IUPAC5-[5-[1-methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-1,3-dihydrobenzimidazol-2-one
SMILESCn1ncc(-c2nc(-c3ccc4[nH]c(=O)[nH]c4c3)no2)c1COc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C20H14F3N7O3/c1-30-15(9-32-16-5-3-11(7-24-16)20(21,22)23)12(8-25-30)18-28-17(29-33-18)10-2-4-13-14(6-10)27-19(31)26-13/h2-8H,9H2,1H3,(H2,26,27,31)
InChIKeyOAOHUYFWPRIOII-UHFFFAOYSA-N
MW457.37 g/mol
LogP3.30
Rot. Bonds5

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

5-[5-[1-methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 151291731) has the molecular formula C20H14F3N7O3 and a molecular weight of 457.37 g/mol. Its IUPAC name is 5-[5-[1-methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[5-[1-methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-1,3-dihydrobenzimidazol-2-one
PubChem CID151291731
Molecular FormulaC20H14F3N7O3
Molecular Weight457.37 g/mol
Exact Mass457.11
IUPAC Name5-[5-[1-methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-1,3-dihydrobenzimidazol-2-one
SMILESCn1ncc(-c2nc(-c3ccc4[nH]c(=O)[nH]c4c3)no2)c1COc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C20H14F3N7O3/c1-30-15(9-32-16-5-3-11(7-24-16)20(21,22)23)12(8-25-30)18-28-17(29-33-18)10-2-4-13-14(6-10)27-19(31)26-13/h2-8H,9H2,1H3,(H2,26,27,31)
InChIKeyOAOHUYFWPRIOII-UHFFFAOYSA-N
XLogP3.30
TPSA127.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.37
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Related Compounds

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
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
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
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
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
5-[5-[1-[2-(dimethylamino)ethyl]indol-3-yl]-1,2,4-oxadiazol-3-yl]-1,3-dihydrobenzimidazol-2-one
CID 167806317
6-[3-[4-[4-(trifluoromethyl)phenoxy]phenyl]-1,2,4-oxadiazol-5-yl]-1H-pyrimidine-2,4-dione
CID 138605885
5-[3-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)quinoxalin-5-yl]-1,3-dihydrobenzimidazol-2-one
CID 44581292
3-[5-[2-methyl-5-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-1H-pyridazin-6-one
CID 167749578
5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1,3-dihydrobenzimidazol-2-one;2,2,2-trifluoroacetic acid
CID 68740998
5-[5-[(3-methoxyphenoxy)methyl]-1-methylpyrazol-4-yl]-3-[3-(tetrazol-2-ylmethyl)phenyl]-1,2,4-oxadiazole
CID 71666342

Frequently Asked Questions

What is the IUPAC name of 5-[5-[1-methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 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) is 5-[5-[1-methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[5-[1-methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[5-[1-methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-1,3-dihydrobenzimidazol-2-one is Cn1ncc(-c2nc(-c3ccc4[nH]c(=O)[nH]c4c3)no2)c1COc1ccc(C(F)(F)F)cn1.
What is the InChIKey of 5-[5-[1-methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is OAOHUYFWPRIOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N7O3/c1-30-15(9-32-16-5-3-11(7-24-16)20(21,22)23)12(8-25-30)18-28-17(29-33-18)10-2-4-13-14(6-10)27-19(31)26-13/h2-8H,9H2,1H3,(H2,26,27,31).
What are the key properties of 5-[5-[1-methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-1,3-dihydrobenzimidazol-2-one?
5-[5-[1-methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 457.37 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[1-methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 151291731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).