2,5-dimethyl-1,2,4-oxadiazol-3-one;1,5-dimethylpyrazole;2-(2-fluorophenyl)-5-methyl-1,2,4-oxadiazol-3-one;2-(5-methyl-3-oxo-1,2,4-oxadiazol-2-yl)benzoic acid;5-methyl-1H-pyrazole;2-(5-methyl-1H-pyrazol-3-yl)pyridine;5-methyl-2-pyridin-2-yl-1,2,4-oxadiazol-3-one;5-methyl-3-(trifluoromethyl)-1H-pyrazole

C54H56F4N18O10 — CID 159114969

IUPAC2,5-dimethyl-1,2,4-oxadiazol-3-one;1,5-dimethylpyrazole;2-(2-fluorophenyl)-5-methyl-1,2,4-oxadiazol-3-one;2-(5-methyl-3-oxo-1,2,4-oxadiazol-2-yl)benzoic acid;5-methyl-1H-pyrazole;2-(5-methyl-1H-pyrazol-3-yl)pyridine;5-methyl-2-pyridin-2-yl-1,2,4-oxadiazol-3-one;5-methyl-3-(trifluoromethyl)-1H-pyrazole
SMILESCc1cc(-c2ccccn2)n[nH]1.Cc1cc(C(F)(F)F)n[nH]1.Cc1ccn[nH]1.Cc1ccnn1C.Cc1nc(=O)n(-c2ccccc2C(=O)O)o1.Cc1nc(=O)n(-c2ccccc2F)o1.Cc1nc(=O)n(-c2ccccn2)o1.Cc1nc(=O)n(C)o1
InChIInChI=1S/C10H8N2O4.C9H7FN2O2.C9H9N3.C8H7N3O2.C5H5F3N2.C5H8N2.C4H6N2O2.C4H6N2/c1-6-11-10(15)12(16-6)8-5-3-2-4-7(8)9(13)14;1-6-11-9(13)12(14-6)8-5-3-2-4-7(8)10;1-7-6-9(12-11-7)8-4-2-3-5-10-8;1-6-10-8(12)11(13-6)7-4-2-3-5-9-7;1-3-2-4(10-9-3)5(6,7)8;1-5-3-4-6-7(5)2;1-3-5-4(7)6(2)8-3;1-4-2-3-5-6-4/h2-5H,1H3,(H,13,14);2-5H,1H3;2-6H,1H3,(H,11,12);2-5H,1H3;2H,1H3,(H,9,10);3-4H,1-2H3;1-2H3;2-3H,1H3,(H,5,6)
InChIKeyKEYVFQFKOZCPDN-UHFFFAOYSA-N
MW1193.15 g/mol
LogP7.28
Rot. Bonds5

About 2,5-dimethyl-1,2,4-oxadiazol-3-one;1,5-dimethylpyrazole;2-(2-fluorophenyl)-5-methyl-1,2,4-oxadiazol-3-one;2-(5-methyl-3-oxo-1,2,4-oxadiazol-2-yl)benzoic acid;5-methyl-1H-pyrazole;2-(5-methyl-1H-pyrazol-3-yl)pyridine;5-methyl-2-pyridin-2-yl-1,2,4-oxadiazol-3-one;5-methyl-3-(trifluoromethyl)-1H-pyrazole

2,5-dimethyl-1,2,4-oxadiazol-3-one;1,5-dimethylpyrazole;2-(2-fluorophenyl)-5-methyl-1,2,4-oxadiazol-3-one;2-(5-methyl-3-oxo-1,2,4-oxadiazol-2-yl)benzoic acid;5-methyl-1H-pyrazole;2-(5-methyl-1H-pyrazol-3-yl)pyridine;5-methyl-2-pyridin-2-yl-1,2,4-oxadiazol-3-one;5-methyl-3-(trifluoromethyl)-1H-pyrazole (PubChem CID 159114969) has the molecular formula C54H56F4N18O10 and a molecular weight of 1193.15 g/mol. Its IUPAC name is 2,5-dimethyl-1,2,4-oxadiazol-3-one;1,5-dimethylpyrazole;2-(2-fluorophenyl)-5-methyl-1,2,4-oxadiazol-3-one;2-(5-methyl-3-oxo-1,2,4-oxadiazol-2-yl)benzoic acid;5-methyl-1H-pyrazole;2-(5-methyl-1H-pyrazol-3-yl)pyridine;5-methyl-2-pyridin-2-yl-1,2,4-oxadiazol-3-one;5-methyl-3-(trifluoromethyl)-1H-pyrazole.

Molecular Properties

Compound Name2,5-dimethyl-1,2,4-oxadiazol-3-one;1,5-dimethylpyrazole;2-(2-fluorophenyl)-5-methyl-1,2,4-oxadiazol-3-one;2-(5-methyl-3-oxo-1,2,4-oxadiazol-2-yl)benzoic acid;5-methyl-1H-pyrazole;2-(5-methyl-1H-pyrazol-3-yl)pyridine;5-methyl-2-pyridin-2-yl-1,2,4-oxadiazol-3-one;5-methyl-3-(trifluoromethyl)-1H-pyrazole
PubChem CID159114969
Molecular FormulaC54H56F4N18O10
Molecular Weight1193.15 g/mol
Exact Mass1192.44
IUPAC Name2,5-dimethyl-1,2,4-oxadiazol-3-one;1,5-dimethylpyrazole;2-(2-fluorophenyl)-5-methyl-1,2,4-oxadiazol-3-one;2-(5-methyl-3-oxo-1,2,4-oxadiazol-2-yl)benzoic acid;5-methyl-1H-pyrazole;2-(5-methyl-1H-pyrazol-3-yl)pyridine;5-methyl-2-pyridin-2-yl-1,2,4-oxadiazol-3-one;5-methyl-3-(trifluoromethyl)-1H-pyrazole
SMILESCc1cc(-c2ccccn2)n[nH]1.Cc1cc(C(F)(F)F)n[nH]1.Cc1ccn[nH]1.Cc1ccnn1C.Cc1nc(=O)n(-c2ccccc2C(=O)O)o1.Cc1nc(=O)n(-c2ccccc2F)o1.Cc1nc(=O)n(-c2ccccn2)o1.Cc1nc(=O)n(C)o1
InChIInChI=1S/C10H8N2O4.C9H7FN2O2.C9H9N3.C8H7N3O2.C5H5F3N2.C5H8N2.C4H6N2O2.C4H6N2/c1-6-11-10(15)12(16-6)8-5-3-2-4-7(8)9(13)14;1-6-11-9(13)12(14-6)8-5-3-2-4-7(8)10;1-7-6-9(12-11-7)8-4-2-3-5-10-8;1-6-10-8(12)11(13-6)7-4-2-3-5-9-7;1-3-2-4(10-9-3)5(6,7)8;1-5-3-4-6-7(5)2;1-3-5-4(7)6(2)8-3;1-4-2-3-5-6-4/h2-5H,1H3,(H,13,14);2-5H,1H3;2-6H,1H3,(H,11,12);2-5H,1H3;2H,1H3,(H,9,10);3-4H,1-2H3;1-2H3;2-3H,1H3,(H,5,6)
InChIKeyKEYVFQFKOZCPDN-UHFFFAOYSA-N
XLogP7.28
TPSA359.06 Ų
H-Bond Donors4
H-Bond Acceptors24
Rotatable Bonds5
Heavy Atoms86
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001193.15
LogP ≤ 57.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1024

Analyze 2,5-dimethyl-1,2,4-oxadiazol-3-one;1,5-dimethylpyrazole;2-(2-fluorophenyl)-5-methyl-1,2,4-oxadiazol-3-one;2-(5-methyl-3-oxo-1,2,4-oxadiazol-2-yl)benzoic acid;5-methyl-1H-pyrazole;2-(5-methyl-1H-pyrazol-3-yl)pyridine;5-methyl-2-pyridin-2-yl-1,2,4-oxadiazol-3-one;5-methyl-3-(trifluoromethyl)-1H-pyrazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1,2,4-oxadiazol-3-one;1,5-dimethylpyrazole;2-(2-fluorophenyl)-5-methyl-1,2,4-oxadiazol-3-one;2-(5-methyl-3-oxo-1,2,4-oxadiazol-2-yl)benzoic acid;5-methyl-1H-pyrazole;2-(5-methyl-1H-pyrazol-3-yl)pyridine;5-methyl-2-pyridin-2-yl-1,2,4-oxadiazol-3-one;5-methyl-3-(trifluoromethyl)-1H-pyrazole?
The IUPAC name of 2,5-dimethyl-1,2,4-oxadiazol-3-one;1,5-dimethylpyrazole;2-(2-fluorophenyl)-5-methyl-1,2,4-oxadiazol-3-one;2-(5-methyl-3-oxo-1,2,4-oxadiazol-2-yl)benzoic acid;5-methyl-1H-pyrazole;2-(5-methyl-1H-pyrazol-3-yl)pyridine;5-methyl-2-pyridin-2-yl-1,2,4-oxadiazol-3-one;5-methyl-3-(trifluoromethyl)-1H-pyrazole (CID 159114969) is 2,5-dimethyl-1,2,4-oxadiazol-3-one;1,5-dimethylpyrazole;2-(2-fluorophenyl)-5-methyl-1,2,4-oxadiazol-3-one;2-(5-methyl-3-oxo-1,2,4-oxadiazol-2-yl)benzoic acid;5-methyl-1H-pyrazole;2-(5-methyl-1H-pyrazol-3-yl)pyridine;5-methyl-2-pyridin-2-yl-1,2,4-oxadiazol-3-one;5-methyl-3-(trifluoromethyl)-1H-pyrazole.
What is the SMILES notation for 2,5-dimethyl-1,2,4-oxadiazol-3-one;1,5-dimethylpyrazole;2-(2-fluorophenyl)-5-methyl-1,2,4-oxadiazol-3-one;2-(5-methyl-3-oxo-1,2,4-oxadiazol-2-yl)benzoic acid;5-methyl-1H-pyrazole;2-(5-methyl-1H-pyrazol-3-yl)pyridine;5-methyl-2-pyridin-2-yl-1,2,4-oxadiazol-3-one;5-methyl-3-(trifluoromethyl)-1H-pyrazole?
The canonical SMILES for 2,5-dimethyl-1,2,4-oxadiazol-3-one;1,5-dimethylpyrazole;2-(2-fluorophenyl)-5-methyl-1,2,4-oxadiazol-3-one;2-(5-methyl-3-oxo-1,2,4-oxadiazol-2-yl)benzoic acid;5-methyl-1H-pyrazole;2-(5-methyl-1H-pyrazol-3-yl)pyridine;5-methyl-2-pyridin-2-yl-1,2,4-oxadiazol-3-one;5-methyl-3-(trifluoromethyl)-1H-pyrazole is Cc1cc(-c2ccccn2)n[nH]1.Cc1cc(C(F)(F)F)n[nH]1.Cc1ccn[nH]1.Cc1ccnn1C.Cc1nc(=O)n(-c2ccccc2C(=O)O)o1.Cc1nc(=O)n(-c2ccccc2F)o1.Cc1nc(=O)n(-c2ccccn2)o1.Cc1nc(=O)n(C)o1.
What is the InChIKey of 2,5-dimethyl-1,2,4-oxadiazol-3-one;1,5-dimethylpyrazole;2-(2-fluorophenyl)-5-methyl-1,2,4-oxadiazol-3-one;2-(5-methyl-3-oxo-1,2,4-oxadiazol-2-yl)benzoic acid;5-methyl-1H-pyrazole;2-(5-methyl-1H-pyrazol-3-yl)pyridine;5-methyl-2-pyridin-2-yl-1,2,4-oxadiazol-3-one;5-methyl-3-(trifluoromethyl)-1H-pyrazole?
The InChIKey is KEYVFQFKOZCPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O4.C9H7FN2O2.C9H9N3.C8H7N3O2.C5H5F3N2.C5H8N2.C4H6N2O2.C4H6N2/c1-6-11-10(15)12(16-6)8-5-3-2-4-7(8)9(13)14;1-6-11-9(13)12(14-6)8-5-3-2-4-7(8)10;1-7-6-9(12-11-7)8-4-2-3-5-10-8;1-6-10-8(12)11(13-6)7-4-2-3-5-9-7;1-3-2-4(10-9-3)5(6,7)8;1-5-3-4-6-7(5)2;1-3-5-4(7)6(2)8-3;1-4-2-3-5-6-4/h2-5H,1H3,(H,13,14);2-5H,1H3;2-6H,1H3,(H,11,12);2-5H,1H3;2H,1H3,(H,9,10);3-4H,1-2H3;1-2H3;2-3H,1H3,(H,5,6).
What are the key properties of 2,5-dimethyl-1,2,4-oxadiazol-3-one;1,5-dimethylpyrazole;2-(2-fluorophenyl)-5-methyl-1,2,4-oxadiazol-3-one;2-(5-methyl-3-oxo-1,2,4-oxadiazol-2-yl)benzoic acid;5-methyl-1H-pyrazole;2-(5-methyl-1H-pyrazol-3-yl)pyridine;5-methyl-2-pyridin-2-yl-1,2,4-oxadiazol-3-one;5-methyl-3-(trifluoromethyl)-1H-pyrazole?
2,5-dimethyl-1,2,4-oxadiazol-3-one;1,5-dimethylpyrazole;2-(2-fluorophenyl)-5-methyl-1,2,4-oxadiazol-3-one;2-(5-methyl-3-oxo-1,2,4-oxadiazol-2-yl)benzoic acid;5-methyl-1H-pyrazole;2-(5-methyl-1H-pyrazol-3-yl)pyridine;5-methyl-2-pyridin-2-yl-1,2,4-oxadiazol-3-one;5-methyl-3-(trifluoromethyl)-1H-pyrazole has a molecular weight of 1193.15 g/mol, XLogP of 7.28, 5 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1,2,4-oxadiazol-3-one;1,5-dimethylpyrazole;2-(2-fluorophenyl)-5-methyl-1,2,4-oxadiazol-3-one;2-(5-methyl-3-oxo-1,2,4-oxadiazol-2-yl)benzoic acid;5-methyl-1H-pyrazole;2-(5-methyl-1H-pyrazol-3-yl)pyridine;5-methyl-2-pyridin-2-yl-1,2,4-oxadiazol-3-one;5-methyl-3-(trifluoromethyl)-1H-pyrazole is sourced from PubChem (CID 159114969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).