[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]-(1-ethylpyrazol-4-yl)methanone;[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]-(5-methoxy-2-pyridinyl)methanone;[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]-(6-methyl-2-pyridinyl)methanone;[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]-pyridin-2-ylmethanone;ethyl 5-[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]benzoyl]-1,2-oxazole-3-carboxylate

C83H64F10N16O14 — CID 160671756

IUPAC[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]-(1-ethylpyrazol-4-yl)methanone;[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]-(5-methoxy-2-pyridinyl)methanone;[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]-(6-methyl-2-pyridinyl)methanone;[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]-pyridin-2-ylmethanone;ethyl 5-[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]benzoyl]-1,2-oxazole-3-carboxylate
SMILESCC(F)(F)c1nc(-c2ccc(C(=O)c3ccccn3)cc2)no1.CCOC(=O)c1cc(C(=O)c2ccc(-c3noc(C(C)(F)F)n3)cc2)on1.CCn1cc(C(=O)c2ccc(-c3noc(C(C)(F)F)n3)cc2)cn1.COc1ccc(C(=O)c2ccc(-c3noc(C(C)(F)F)n3)cc2)nc1.Cc1cccc(C(=O)c2ccc(-c3noc(C(C)(F)F)n3)cc2)n1
InChIInChI=1S/C17H13F2N3O5.C17H13F2N3O3.C17H13F2N3O2.C16H14F2N4O2.C16H11F2N3O2/c1-3-25-15(24)11-8-12(26-21-11)13(23)9-4-6-10(7-5-9)14-20-16(27-22-14)17(2,18)19;1-17(18,19)16-21-15(22-25-16)11-5-3-10(4-6-11)14(23)13-8-7-12(24-2)9-20-13;1-10-4-3-5-13(20-10)14(23)11-6-8-12(9-7-11)15-21-16(24-22-15)17(2,18)19;1-3-22-9-12(8-19-22)13(23)10-4-6-11(7-5-10)14-20-15(24-21-14)16(2,17)18;1-16(17,18)15-20-14(21-23-15)11-7-5-10(6-8-11)13(22)12-4-2-3-9-19-12/h4-8H,3H2,1-2H3;3-9H,1-2H3;3-9H,1-2H3;4-9H,3H2,1-2H3;2-9H,1H3
InChIKeyRNABAWYONAIXEO-UHFFFAOYSA-N
MW1699.50 g/mol
LogP17.28
Rot. Bonds24

About [4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]-(1-ethylpyrazol-4-yl)methanone;[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]-(5-methoxy-2-pyridinyl)methanone;[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]-(6-methyl-2-pyridinyl)methanone;[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]-pyridin-2-ylmethanone;ethyl 5-[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]benzoyl]-1,2-oxazole-3-carboxylate

[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]-(1-ethylpyrazol-4-yl)methanone;[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]-(5-methoxy-2-pyridinyl)methanone;[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]-(6-methyl-2-pyridinyl)methanone;[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]-pyridin-2-ylmethanone;ethyl 5-[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]benzoyl]-1,2-oxazole-3-carboxylate (PubChem CID 160671756) has the molecular formula C83H64F10N16O14 and a molecular weight of 1699.50 g/mol. Its IUPAC name is [4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]-(1-ethylpyrazol-4-yl)methanone;[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]-(5-methoxy-2-pyridinyl)methanone;[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]-(6-methyl-2-pyridinyl)methanone;[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]-pyridin-2-ylmethanone;ethyl 5-[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]benzoyl]-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Name[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]-(1-ethylpyrazol-4-yl)methanone;[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]-(5-methoxy-2-pyridinyl)methanone;[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]-(6-methyl-2-pyridinyl)methanone;[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]-pyridin-2-ylmethanone;ethyl 5-[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]benzoyl]-1,2-oxazole-3-carboxylate
PubChem CID160671756
Molecular FormulaC83H64F10N16O14
Molecular Weight1699.50 g/mol
Exact Mass1698.46
IUPAC Name[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]-(1-ethylpyrazol-4-yl)methanone;[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]-(5-methoxy-2-pyridinyl)methanone;[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]-(6-methyl-2-pyridinyl)methanone;[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]-pyridin-2-ylmethanone;ethyl 5-[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]benzoyl]-1,2-oxazole-3-carboxylate
SMILESCC(F)(F)c1nc(-c2ccc(C(=O)c3ccccn3)cc2)no1.CCOC(=O)c1cc(C(=O)c2ccc(-c3noc(C(C)(F)F)n3)cc2)on1.CCn1cc(C(=O)c2ccc(-c3noc(C(C)(F)F)n3)cc2)cn1.COc1ccc(C(=O)c2ccc(-c3noc(C(C)(F)F)n3)cc2)nc1.Cc1cccc(C(=O)c2ccc(-c3noc(C(C)(F)F)n3)cc2)n1
InChIInChI=1S/C17H13F2N3O5.C17H13F2N3O3.C17H13F2N3O2.C16H14F2N4O2.C16H11F2N3O2/c1-3-25-15(24)11-8-12(26-21-11)13(23)9-4-6-10(7-5-9)14-20-16(27-22-14)17(2,18)19;1-17(18,19)16-21-15(22-25-16)11-5-3-10(4-6-11)14(23)13-8-7-12(24-2)9-20-13;1-10-4-3-5-13(20-10)14(23)11-6-8-12(9-7-11)15-21-16(24-22-15)17(2,18)19;1-3-22-9-12(8-19-22)13(23)10-4-6-11(7-5-10)14-20-15(24-21-14)16(2,17)18;1-16(17,18)15-20-14(21-23-15)11-7-5-10(6-8-11)13(22)12-4-2-3-9-19-12/h4-8H,3H2,1-2H3;3-9H,1-2H3;3-9H,1-2H3;4-9H,3H2,1-2H3;2-9H,1H3
InChIKeyRNABAWYONAIXEO-UHFFFAOYSA-N
XLogP17.28
TPSA398.00 Ų
H-Bond Donors
H-Bond Acceptors30
Rotatable Bonds24
Heavy Atoms123
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001699.50
LogP ≤ 517.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1030

Analyze [4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]-(1-ethylpyrazol-4-yl)methanone;[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]-(5-methoxy-2-pyridinyl)methanone;[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]-(6-methyl-2-pyridinyl)methanone;[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]-pyridin-2-ylmethanone;ethyl 5-[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]benzoyl]-1,2-oxazole-3-carboxylate with MolForge

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Related Compounds

2,4-Dimethyl-1,3-oxazole;bis(3,5-dimethyl-1,2-oxazole);3,6-dimethylpyridazine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;1-isocyano-4-methylbenzene;2-isocyano-5-methylpyridine;1-methoxy-4-methylbenzene;2-methoxy-5-methylpyridine;3-methyl-5-phenyl-1,2-oxazole;4-methyl-2-phenyl-1,3-oxazole;2-methylpyrazine;3-methylpyridine;4-methylpyridine;5-methylpyrimidine;1-methyl-4-(trifluoromethyl)benzene;3-methyl-5-(trifluoromethyl)-1,2-oxazole;4-methyl-2-(trifluoromethyl)-1,3-oxazole;bis(5-methyl-3-(trifluoromethyl)-1,2-oxazole);3-methyl-6-(trifluoromethyl)pyridazine;5-methyl-2-(trifluoromethyl)pyridine;5-methyl-2-(trifluoromethyl)pyrimidine;toluene
CID 159376626
2-[4-[3-[(1R)-1-[4-(5-amino-3-methylpyrazin-2-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;3-[1-cyclopropyl-1-[4-(5-methoxy-3-pyridinyl)phenyl]ethyl]-5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole;5-[4-[3-methyl-2-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[3-methyl-2-(5-pyrazin-2-yl-1,2,4-oxadiazol-3-yl)butan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[3-methyl-2-[5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine
CID 160137696
1-Hydroxy-1-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]hexan-2-one;1-hydroxy-1-[4-[5-[5-phenyl-4-(trifluoromethyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]hexan-2-one;1-hydroxy-1-[4-[5-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]hexan-2-one;methane
CID 160711925
2-Cyclopropyl-5-propan-2-yl-1,3,4-oxadiazole;3-cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;3-cyclopropyl-5-propan-2-yl-1,2-oxazole;4-cyclopropyl-2-propan-2-yl-1,3-oxazole;2-(1,1-difluoroethyl)-5-propan-2-yl-1,3,4-oxadiazole;3-ethyl-5-propan-2-yl-1,2,4-oxadiazole;3-ethyl-5-propan-2-yl-1,2-oxazole;4-(1-fluoroethyl)-2-propan-2-ylfuran;bis(2-methyl-5-propan-2-yl-1,3,4-oxadiazole);3-methyl-5-propan-2-yl-1,2,4-oxadiazole;3-methyl-5-propan-2-yl-1,2-oxazole;4-methyl-2-propan-2-yl-1,3-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;3-phenyl-2-propan-2-ylfuran;2-phenyl-5-propan-2-yl-1,3,4-oxadiazole;3-phenyl-5-propan-2-yl-1,2,4-oxadiazole;2-phenyl-4-propan-2-yl-1,3-oxazole;3-phenyl-5-propan-2-yl-1,2-oxazole;1-(5-propan-2-yl-1,2-oxazol-3-yl)ethanone;5-propan-2-yl-3-pyridin-2-yl-1,2,4-oxadiazole;5-propan-2-yl-3-pyridin-2-yl-1,2-oxazole
CID 162008443

Frequently Asked Questions

What is the IUPAC name of [4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]-(1-ethylpyrazol-4-yl)methanone;[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]-(5-methoxy-2-pyridinyl)methanone;[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]-(6-methyl-2-pyridinyl)methanone;[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]-pyridin-2-ylmethanone;ethyl 5-[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]benzoyl]-1,2-oxazole-3-carboxylate?
The IUPAC name of [4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]-(1-ethylpyrazol-4-yl)methanone;[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]-(5-methoxy-2-pyridinyl)methanone;[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]-(6-methyl-2-pyridinyl)methanone;[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]-pyridin-2-ylmethanone;ethyl 5-[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]benzoyl]-1,2-oxazole-3-carboxylate (CID 160671756) is [4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]-(1-ethylpyrazol-4-yl)methanone;[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]-(5-methoxy-2-pyridinyl)methanone;[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]-(6-methyl-2-pyridinyl)methanone;[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]-pyridin-2-ylmethanone;ethyl 5-[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]benzoyl]-1,2-oxazole-3-carboxylate.
What is the SMILES notation for [4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]-(1-ethylpyrazol-4-yl)methanone;[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]-(5-methoxy-2-pyridinyl)methanone;[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]-(6-methyl-2-pyridinyl)methanone;[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]-pyridin-2-ylmethanone;ethyl 5-[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]benzoyl]-1,2-oxazole-3-carboxylate?
The canonical SMILES for [4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]-(1-ethylpyrazol-4-yl)methanone;[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]-(5-methoxy-2-pyridinyl)methanone;[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]-(6-methyl-2-pyridinyl)methanone;[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]-pyridin-2-ylmethanone;ethyl 5-[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]benzoyl]-1,2-oxazole-3-carboxylate is CC(F)(F)c1nc(-c2ccc(C(=O)c3ccccn3)cc2)no1.CCOC(=O)c1cc(C(=O)c2ccc(-c3noc(C(C)(F)F)n3)cc2)on1.CCn1cc(C(=O)c2ccc(-c3noc(C(C)(F)F)n3)cc2)cn1.COc1ccc(C(=O)c2ccc(-c3noc(C(C)(F)F)n3)cc2)nc1.Cc1cccc(C(=O)c2ccc(-c3noc(C(C)(F)F)n3)cc2)n1.
What is the InChIKey of [4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]-(1-ethylpyrazol-4-yl)methanone;[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]-(5-methoxy-2-pyridinyl)methanone;[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]-(6-methyl-2-pyridinyl)methanone;[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]-pyridin-2-ylmethanone;ethyl 5-[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]benzoyl]-1,2-oxazole-3-carboxylate?
The InChIKey is RNABAWYONAIXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N3O5.C17H13F2N3O3.C17H13F2N3O2.C16H14F2N4O2.C16H11F2N3O2/c1-3-25-15(24)11-8-12(26-21-11)13(23)9-4-6-10(7-5-9)14-20-16(27-22-14)17(2,18)19;1-17(18,19)16-21-15(22-25-16)11-5-3-10(4-6-11)14(23)13-8-7-12(24-2)9-20-13;1-10-4-3-5-13(20-10)14(23)11-6-8-12(9-7-11)15-21-16(24-22-15)17(2,18)19;1-3-22-9-12(8-19-22)13(23)10-4-6-11(7-5-10)14-20-15(24-21-14)16(2,17)18;1-16(17,18)15-20-14(21-23-15)11-7-5-10(6-8-11)13(22)12-4-2-3-9-19-12/h4-8H,3H2,1-2H3;3-9H,1-2H3;3-9H,1-2H3;4-9H,3H2,1-2H3;2-9H,1H3.
What are the key properties of [4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]-(1-ethylpyrazol-4-yl)methanone;[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]-(5-methoxy-2-pyridinyl)methanone;[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]-(6-methyl-2-pyridinyl)methanone;[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]-pyridin-2-ylmethanone;ethyl 5-[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]benzoyl]-1,2-oxazole-3-carboxylate?
[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]-(1-ethylpyrazol-4-yl)methanone;[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]-(5-methoxy-2-pyridinyl)methanone;[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]-(6-methyl-2-pyridinyl)methanone;[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]-pyridin-2-ylmethanone;ethyl 5-[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]benzoyl]-1,2-oxazole-3-carboxylate has a molecular weight of 1699.50 g/mol, XLogP of 17.28, 24 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]-(1-ethylpyrazol-4-yl)methanone;[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]-(5-methoxy-2-pyridinyl)methanone;[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]-(6-methyl-2-pyridinyl)methanone;[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]-pyridin-2-ylmethanone;ethyl 5-[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]benzoyl]-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 160671756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).