1-[4-(5-butyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(5-butyl-1,3,4-thiadiazol-2-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(4-butyltriazol-1-yl)phenyl]-3-(5-fluoro-3-pyridinyl)propan-2-one;4-[3-[3-[4-(4-butyltriazol-1-yl)phenyl]-2-oxopropyl]-4-methylphenyl]butan-2-one;1-[4-(5-butyl-1H-1,2,4-triazol-3-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one

C112H116F10N14O7S — CID 160698376

IUPAC1-[4-(5-butyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(5-butyl-1,3,4-thiadiazol-2-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(4-butyltriazol-1-yl)phenyl]-3-(5-fluoro-3-pyridinyl)propan-2-one;4-[3-[3-[4-(4-butyltriazol-1-yl)phenyl]-2-oxopropyl]-4-methylphenyl]butan-2-one;1-[4-(5-butyl-1H-1,2,4-triazol-3-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one
SMILESCCCCc1cn(-c2ccc(CC(=O)Cc3cc(CCC(C)=O)ccc3C)cc2)nn1.CCCCc1cn(-c2ccc(CC(=O)Cc3cncc(F)c3)cc2)nn1.CCCCc1nc(-c2ccc(CC(=O)Cc3ccccc3C(F)(F)F)cc2)n[nH]1.CCCCc1nnc(-c2ccc(CC(=O)Cc3ccccc3C(F)(F)F)cc2)o1.CCCCc1nnc(-c2ccc(CC(=O)Cc3ccccc3C(F)(F)F)cc2)s1
InChIInChI=1S/C26H31N3O2.C22H22F3N3O.C22H21F3N2O2.C22H21F3N2OS.C20H21FN4O/c1-4-5-6-24-18-29(28-27-24)25-13-11-22(12-14-25)16-26(31)17-23-15-21(9-7-19(23)2)10-8-20(3)30;1-2-3-8-20-26-21(28-27-20)16-11-9-15(10-12-16)13-18(29)14-17-6-4-5-7-19(17)22(23,24)25;2*1-2-3-8-20-26-27-21(29-20)16-11-9-15(10-12-16)13-18(28)14-17-6-4-5-7-19(17)22(23,24)25;1-2-3-4-18-14-25(24-23-18)19-7-5-15(6-8-19)10-20(26)11-16-9-17(21)13-22-12-16/h7,9,11-15,18H,4-6,8,10,16-17H2,1-3H3;4-7,9-12H,2-3,8,13-14H2,1H3,(H,26,27,28);2*4-7,9-12H,2-3,8,13-14H2,1H3;5-9,12-14H,2-4,10-11H2,1H3
InChIKeyRQHCOXCNPVEZRX-UHFFFAOYSA-N
MW1992.30 g/mol
LogP24.85
Rot. Bonds43

About 1-[4-(5-butyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(5-butyl-1,3,4-thiadiazol-2-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(4-butyltriazol-1-yl)phenyl]-3-(5-fluoro-3-pyridinyl)propan-2-one;4-[3-[3-[4-(4-butyltriazol-1-yl)phenyl]-2-oxopropyl]-4-methylphenyl]butan-2-one;1-[4-(5-butyl-1H-1,2,4-triazol-3-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one

1-[4-(5-butyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(5-butyl-1,3,4-thiadiazol-2-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(4-butyltriazol-1-yl)phenyl]-3-(5-fluoro-3-pyridinyl)propan-2-one;4-[3-[3-[4-(4-butyltriazol-1-yl)phenyl]-2-oxopropyl]-4-methylphenyl]butan-2-one;1-[4-(5-butyl-1H-1,2,4-triazol-3-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one (PubChem CID 160698376) has the molecular formula C112H116F10N14O7S and a molecular weight of 1992.30 g/mol. Its IUPAC name is 1-[4-(5-butyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(5-butyl-1,3,4-thiadiazol-2-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(4-butyltriazol-1-yl)phenyl]-3-(5-fluoro-3-pyridinyl)propan-2-one;4-[3-[3-[4-(4-butyltriazol-1-yl)phenyl]-2-oxopropyl]-4-methylphenyl]butan-2-one;1-[4-(5-butyl-1H-1,2,4-triazol-3-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one.

Molecular Properties

Compound Name1-[4-(5-butyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(5-butyl-1,3,4-thiadiazol-2-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(4-butyltriazol-1-yl)phenyl]-3-(5-fluoro-3-pyridinyl)propan-2-one;4-[3-[3-[4-(4-butyltriazol-1-yl)phenyl]-2-oxopropyl]-4-methylphenyl]butan-2-one;1-[4-(5-butyl-1H-1,2,4-triazol-3-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one
PubChem CID160698376
Molecular FormulaC112H116F10N14O7S
Molecular Weight1992.30 g/mol
Exact Mass1990.87
IUPAC Name1-[4-(5-butyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(5-butyl-1,3,4-thiadiazol-2-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(4-butyltriazol-1-yl)phenyl]-3-(5-fluoro-3-pyridinyl)propan-2-one;4-[3-[3-[4-(4-butyltriazol-1-yl)phenyl]-2-oxopropyl]-4-methylphenyl]butan-2-one;1-[4-(5-butyl-1H-1,2,4-triazol-3-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one
SMILESCCCCc1cn(-c2ccc(CC(=O)Cc3cc(CCC(C)=O)ccc3C)cc2)nn1.CCCCc1cn(-c2ccc(CC(=O)Cc3cncc(F)c3)cc2)nn1.CCCCc1nc(-c2ccc(CC(=O)Cc3ccccc3C(F)(F)F)cc2)n[nH]1.CCCCc1nnc(-c2ccc(CC(=O)Cc3ccccc3C(F)(F)F)cc2)o1.CCCCc1nnc(-c2ccc(CC(=O)Cc3ccccc3C(F)(F)F)cc2)s1
InChIInChI=1S/C26H31N3O2.C22H22F3N3O.C22H21F3N2O2.C22H21F3N2OS.C20H21FN4O/c1-4-5-6-24-18-29(28-27-24)25-13-11-22(12-14-25)16-26(31)17-23-15-21(9-7-19(23)2)10-8-20(3)30;1-2-3-8-20-26-21(28-27-20)16-11-9-15(10-12-16)13-18(29)14-17-6-4-5-7-19(17)22(23,24)25;2*1-2-3-8-20-26-27-21(29-20)16-11-9-15(10-12-16)13-18(28)14-17-6-4-5-7-19(17)22(23,24)25;1-2-3-4-18-14-25(24-23-18)19-7-5-15(6-8-19)10-20(26)11-16-9-17(21)13-22-12-16/h7,9,11-15,18H,4-6,8,10,16-17H2,1-3H3;4-7,9-12H,2-3,8,13-14H2,1H3,(H,26,27,28);2*4-7,9-12H,2-3,8,13-14H2,1H3;5-9,12-14H,2-4,10-11H2,1H3
InChIKeyRQHCOXCNPVEZRX-UHFFFAOYSA-N
XLogP24.85
TPSA283.00 Ų
H-Bond Donors1
H-Bond Acceptors21
Rotatable Bonds43
Heavy Atoms144
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001992.30
LogP ≤ 524.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1021

Analyze 1-[4-(5-butyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(5-butyl-1,3,4-thiadiazol-2-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(4-butyltriazol-1-yl)phenyl]-3-(5-fluoro-3-pyridinyl)propan-2-one;4-[3-[3-[4-(4-butyltriazol-1-yl)phenyl]-2-oxopropyl]-4-methylphenyl]butan-2-one;1-[4-(5-butyl-1H-1,2,4-triazol-3-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one with MolForge

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Related Compounds

CID 157799194
CID 157799194
1-[4-(5-butyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(5-butyl-2H-tetrazol-3-ium-3-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(5-butyl-1,3,4-thiadiazol-2-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(4-butyltriazol-1-yl)phenyl]-3-(5-fluoro-3-pyridinyl)propan-2-one;4-[3-[3-[4-(4-butyltriazol-1-yl)phenyl]-2-oxopropyl]-4-methylphenyl]butan-2-one
CID 160872926
1-[4-(5-Butyl-1,2,4-oxadiazol-3-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(5-butyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(4-butyltriazol-1-yl)phenyl]-3-(5-fluoro-3-pyridinyl)propan-2-one;4-[3-[3-[4-(4-butyltriazol-1-yl)phenyl]-2-oxopropyl]-4-methylphenyl]butan-2-one;1-[4-[4-(fluoromethyl)triazol-1-yl]phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one
CID 161138853
2,5-Bis(4-methylphenyl)-1,3,4-oxadiazole;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1-phenylimidazole;2,5-dimethylpyrazine;2,5-dimethyl-1,3,4-thiadiazole;2-methyl-5-(4-methylphenyl)-1,3,4-oxadiazole;1,2,4,5-tetrafluoro-3,6-dimethylbenzene;1,4-xylene
CID 158167425
2,5-Bis(2,4-dimethylphenyl)-1-phenylimidazole;2,5-bis[2-methyl-4-(2-methylphenyl)phenyl]-1,3,4-thiadiazole;2,5-bis(2-phenylphenyl)-1,3,4-oxadiazole;1,2-bis(2,4,6-trimethylphenyl)imidazole;2-methyl-4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazine;2,4,6-tris(2,4-dimethylphenyl)-1,3,5-triazine;2,4,6-tris(2,4,6-trimethylphenyl)-1,3,5-triazine
CID 161569271

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-butyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(5-butyl-1,3,4-thiadiazol-2-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(4-butyltriazol-1-yl)phenyl]-3-(5-fluoro-3-pyridinyl)propan-2-one;4-[3-[3-[4-(4-butyltriazol-1-yl)phenyl]-2-oxopropyl]-4-methylphenyl]butan-2-one;1-[4-(5-butyl-1H-1,2,4-triazol-3-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one?
The IUPAC name of 1-[4-(5-butyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(5-butyl-1,3,4-thiadiazol-2-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(4-butyltriazol-1-yl)phenyl]-3-(5-fluoro-3-pyridinyl)propan-2-one;4-[3-[3-[4-(4-butyltriazol-1-yl)phenyl]-2-oxopropyl]-4-methylphenyl]butan-2-one;1-[4-(5-butyl-1H-1,2,4-triazol-3-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one (CID 160698376) is 1-[4-(5-butyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(5-butyl-1,3,4-thiadiazol-2-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(4-butyltriazol-1-yl)phenyl]-3-(5-fluoro-3-pyridinyl)propan-2-one;4-[3-[3-[4-(4-butyltriazol-1-yl)phenyl]-2-oxopropyl]-4-methylphenyl]butan-2-one;1-[4-(5-butyl-1H-1,2,4-triazol-3-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one.
What is the SMILES notation for 1-[4-(5-butyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(5-butyl-1,3,4-thiadiazol-2-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(4-butyltriazol-1-yl)phenyl]-3-(5-fluoro-3-pyridinyl)propan-2-one;4-[3-[3-[4-(4-butyltriazol-1-yl)phenyl]-2-oxopropyl]-4-methylphenyl]butan-2-one;1-[4-(5-butyl-1H-1,2,4-triazol-3-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one?
The canonical SMILES for 1-[4-(5-butyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(5-butyl-1,3,4-thiadiazol-2-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(4-butyltriazol-1-yl)phenyl]-3-(5-fluoro-3-pyridinyl)propan-2-one;4-[3-[3-[4-(4-butyltriazol-1-yl)phenyl]-2-oxopropyl]-4-methylphenyl]butan-2-one;1-[4-(5-butyl-1H-1,2,4-triazol-3-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one is CCCCc1cn(-c2ccc(CC(=O)Cc3cc(CCC(C)=O)ccc3C)cc2)nn1.CCCCc1cn(-c2ccc(CC(=O)Cc3cncc(F)c3)cc2)nn1.CCCCc1nc(-c2ccc(CC(=O)Cc3ccccc3C(F)(F)F)cc2)n[nH]1.CCCCc1nnc(-c2ccc(CC(=O)Cc3ccccc3C(F)(F)F)cc2)o1.CCCCc1nnc(-c2ccc(CC(=O)Cc3ccccc3C(F)(F)F)cc2)s1.
What is the InChIKey of 1-[4-(5-butyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(5-butyl-1,3,4-thiadiazol-2-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(4-butyltriazol-1-yl)phenyl]-3-(5-fluoro-3-pyridinyl)propan-2-one;4-[3-[3-[4-(4-butyltriazol-1-yl)phenyl]-2-oxopropyl]-4-methylphenyl]butan-2-one;1-[4-(5-butyl-1H-1,2,4-triazol-3-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one?
The InChIKey is RQHCOXCNPVEZRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O2.C22H22F3N3O.C22H21F3N2O2.C22H21F3N2OS.C20H21FN4O/c1-4-5-6-24-18-29(28-27-24)25-13-11-22(12-14-25)16-26(31)17-23-15-21(9-7-19(23)2)10-8-20(3)30;1-2-3-8-20-26-21(28-27-20)16-11-9-15(10-12-16)13-18(29)14-17-6-4-5-7-19(17)22(23,24)25;2*1-2-3-8-20-26-27-21(29-20)16-11-9-15(10-12-16)13-18(28)14-17-6-4-5-7-19(17)22(23,24)25;1-2-3-4-18-14-25(24-23-18)19-7-5-15(6-8-19)10-20(26)11-16-9-17(21)13-22-12-16/h7,9,11-15,18H,4-6,8,10,16-17H2,1-3H3;4-7,9-12H,2-3,8,13-14H2,1H3,(H,26,27,28);2*4-7,9-12H,2-3,8,13-14H2,1H3;5-9,12-14H,2-4,10-11H2,1H3.
What are the key properties of 1-[4-(5-butyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(5-butyl-1,3,4-thiadiazol-2-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(4-butyltriazol-1-yl)phenyl]-3-(5-fluoro-3-pyridinyl)propan-2-one;4-[3-[3-[4-(4-butyltriazol-1-yl)phenyl]-2-oxopropyl]-4-methylphenyl]butan-2-one;1-[4-(5-butyl-1H-1,2,4-triazol-3-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one?
1-[4-(5-butyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(5-butyl-1,3,4-thiadiazol-2-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(4-butyltriazol-1-yl)phenyl]-3-(5-fluoro-3-pyridinyl)propan-2-one;4-[3-[3-[4-(4-butyltriazol-1-yl)phenyl]-2-oxopropyl]-4-methylphenyl]butan-2-one;1-[4-(5-butyl-1H-1,2,4-triazol-3-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one has a molecular weight of 1992.30 g/mol, XLogP of 24.85, 43 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-butyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(5-butyl-1,3,4-thiadiazol-2-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(4-butyltriazol-1-yl)phenyl]-3-(5-fluoro-3-pyridinyl)propan-2-one;4-[3-[3-[4-(4-butyltriazol-1-yl)phenyl]-2-oxopropyl]-4-methylphenyl]butan-2-one;1-[4-(5-butyl-1H-1,2,4-triazol-3-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one is sourced from PubChem (CID 160698376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).