1-[4-(5-butyl-1,2-oxazol-3-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(4-butyltriazol-1-yl)-2-methoxyphenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(4-butyltriazol-1-yl)-3-methoxyphenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(4-butyltriazol-1-yl)phenyl]-3-(3-fluorophenyl)propan-2-one;1-[6-(4-butyltriazol-1-yl)-3-pyridinyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one

C111H113F13N14O8 — CID 159437439

IUPAC1-[4-(5-butyl-1,2-oxazol-3-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(4-butyltriazol-1-yl)-2-methoxyphenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(4-butyltriazol-1-yl)-3-methoxyphenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(4-butyltriazol-1-yl)phenyl]-3-(3-fluorophenyl)propan-2-one;1-[6-(4-butyltriazol-1-yl)-3-pyridinyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one
SMILESCCCCc1cc(-c2ccc(CC(=O)Cc3ccccc3C(F)(F)F)cc2)no1.CCCCc1cn(-c2ccc(CC(=O)Cc3cccc(F)c3)cc2)nn1.CCCCc1cn(-c2ccc(CC(=O)Cc3ccccc3C(F)(F)F)c(OC)c2)nn1.CCCCc1cn(-c2ccc(CC(=O)Cc3ccccc3C(F)(F)F)cc2OC)nn1.CCCCc1cn(-c2ccc(CC(=O)Cc3ccccc3C(F)(F)F)cn2)nn1
InChIInChI=1S/2C23H24F3N3O2.C23H22F3NO2.C21H21F3N4O.C21H22FN3O/c1-3-4-8-18-15-29(28-27-18)21-11-10-16(13-22(21)31-2)12-19(30)14-17-7-5-6-9-20(17)23(24,25)26;1-3-4-8-18-15-29(28-27-18)19-11-10-17(22(14-19)31-2)13-20(30)12-16-7-5-6-9-21(16)23(24,25)26;1-2-3-7-20-15-22(27-29-20)17-11-9-16(10-12-17)13-19(28)14-18-6-4-5-8-21(18)23(24,25)26;1-2-3-7-17-14-28(27-26-17)20-10-9-15(13-25-20)11-18(29)12-16-6-4-5-8-19(16)21(22,23)24;1-2-3-7-19-15-25(24-23-19)20-10-8-16(9-11-20)13-21(26)14-17-5-4-6-18(22)12-17/h5-7,9-11,13,15H,3-4,8,12,14H2,1-2H3;5-7,9-11,14-15H,3-4,8,12-13H2,1-2H3;4-6,8-12,15H,2-3,7,13-14H2,1H3;4-6,8-10,13-14H,2-3,7,11-12H2,1H3;4-6,8-12,15H,2-3,7,13-14H2,1H3
InChIKeyLRTGGORDAJPOSP-UHFFFAOYSA-N
MW2018.19 g/mol
LogP24.52
Rot. Bonds42

About 1-[4-(5-butyl-1,2-oxazol-3-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(4-butyltriazol-1-yl)-2-methoxyphenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(4-butyltriazol-1-yl)-3-methoxyphenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(4-butyltriazol-1-yl)phenyl]-3-(3-fluorophenyl)propan-2-one;1-[6-(4-butyltriazol-1-yl)-3-pyridinyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one

1-[4-(5-butyl-1,2-oxazol-3-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(4-butyltriazol-1-yl)-2-methoxyphenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(4-butyltriazol-1-yl)-3-methoxyphenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(4-butyltriazol-1-yl)phenyl]-3-(3-fluorophenyl)propan-2-one;1-[6-(4-butyltriazol-1-yl)-3-pyridinyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one (PubChem CID 159437439) has the molecular formula C111H113F13N14O8 and a molecular weight of 2018.19 g/mol. Its IUPAC name is 1-[4-(5-butyl-1,2-oxazol-3-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(4-butyltriazol-1-yl)-2-methoxyphenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(4-butyltriazol-1-yl)-3-methoxyphenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(4-butyltriazol-1-yl)phenyl]-3-(3-fluorophenyl)propan-2-one;1-[6-(4-butyltriazol-1-yl)-3-pyridinyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one.

Molecular Properties

Compound Name1-[4-(5-butyl-1,2-oxazol-3-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(4-butyltriazol-1-yl)-2-methoxyphenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(4-butyltriazol-1-yl)-3-methoxyphenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(4-butyltriazol-1-yl)phenyl]-3-(3-fluorophenyl)propan-2-one;1-[6-(4-butyltriazol-1-yl)-3-pyridinyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one
PubChem CID159437439
Molecular FormulaC111H113F13N14O8
Molecular Weight2018.19 g/mol
Exact Mass2016.87
IUPAC Name1-[4-(5-butyl-1,2-oxazol-3-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(4-butyltriazol-1-yl)-2-methoxyphenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(4-butyltriazol-1-yl)-3-methoxyphenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(4-butyltriazol-1-yl)phenyl]-3-(3-fluorophenyl)propan-2-one;1-[6-(4-butyltriazol-1-yl)-3-pyridinyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one
SMILESCCCCc1cc(-c2ccc(CC(=O)Cc3ccccc3C(F)(F)F)cc2)no1.CCCCc1cn(-c2ccc(CC(=O)Cc3cccc(F)c3)cc2)nn1.CCCCc1cn(-c2ccc(CC(=O)Cc3ccccc3C(F)(F)F)c(OC)c2)nn1.CCCCc1cn(-c2ccc(CC(=O)Cc3ccccc3C(F)(F)F)cc2OC)nn1.CCCCc1cn(-c2ccc(CC(=O)Cc3ccccc3C(F)(F)F)cn2)nn1
InChIInChI=1S/2C23H24F3N3O2.C23H22F3NO2.C21H21F3N4O.C21H22FN3O/c1-3-4-8-18-15-29(28-27-18)21-11-10-16(13-22(21)31-2)12-19(30)14-17-7-5-6-9-20(17)23(24,25)26;1-3-4-8-18-15-29(28-27-18)19-11-10-17(22(14-19)31-2)13-20(30)12-16-7-5-6-9-21(16)23(24,25)26;1-2-3-7-20-15-22(27-29-20)17-11-9-16(10-12-17)13-19(28)14-18-6-4-5-8-21(18)23(24,25)26;1-2-3-7-17-14-28(27-26-17)20-10-9-15(13-25-20)11-18(29)12-16-6-4-5-8-19(16)21(22,23)24;1-2-3-7-19-15-25(24-23-19)20-10-8-16(9-11-20)13-21(26)14-17-5-4-6-18(22)12-17/h5-7,9-11,13,15H,3-4,8,12,14H2,1-2H3;5-7,9-11,14-15H,3-4,8,12-13H2,1-2H3;4-6,8-12,15H,2-3,7,13-14H2,1H3;4-6,8-10,13-14H,2-3,7,11-12H2,1H3;4-6,8-12,15H,2-3,7,13-14H2,1H3
InChIKeyLRTGGORDAJPOSP-UHFFFAOYSA-N
XLogP24.52
TPSA265.57 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds42
Heavy Atoms146
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002018.19
LogP ≤ 524.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Analyze 1-[4-(5-butyl-1,2-oxazol-3-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(4-butyltriazol-1-yl)-2-methoxyphenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(4-butyltriazol-1-yl)-3-methoxyphenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(4-butyltriazol-1-yl)phenyl]-3-(3-fluorophenyl)propan-2-one;1-[6-(4-butyltriazol-1-yl)-3-pyridinyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one with MolForge

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Related Compounds

1-[4-(5-Butyl-1,2,4-oxadiazol-3-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(5-butyl-1,2-oxazol-3-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(4-butyltriazol-1-yl)-3-methoxyphenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[6-(4-butyltriazol-1-yl)-3-pyridinyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-[4-(fluoromethyl)triazol-1-yl]phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one
CID 157298677
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-(5-butyl-1,2-oxazol-3-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(4-butyltriazol-1-yl)-3-methoxyphenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[6-(4-butyltriazol-1-yl)-3-pyridinyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-[4-(fluoromethyl)triazol-1-yl]phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one
CID 157596201
1-[4-(5-Butyl-1,2,4-oxadiazol-3-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[6-(5-butyl-1,2-oxazol-3-yl)-3-pyridinyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(4-butyltriazol-1-yl)-3-methoxyphenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[6-(4-butyltriazol-1-yl)-3-pyridinyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[6-[4-(fluoromethyl)triazol-1-yl]-3-pyridinyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one
CID 160409182

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-butyl-1,2-oxazol-3-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(4-butyltriazol-1-yl)-2-methoxyphenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(4-butyltriazol-1-yl)-3-methoxyphenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(4-butyltriazol-1-yl)phenyl]-3-(3-fluorophenyl)propan-2-one;1-[6-(4-butyltriazol-1-yl)-3-pyridinyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one?
The IUPAC name of 1-[4-(5-butyl-1,2-oxazol-3-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(4-butyltriazol-1-yl)-2-methoxyphenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(4-butyltriazol-1-yl)-3-methoxyphenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(4-butyltriazol-1-yl)phenyl]-3-(3-fluorophenyl)propan-2-one;1-[6-(4-butyltriazol-1-yl)-3-pyridinyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one (CID 159437439) is 1-[4-(5-butyl-1,2-oxazol-3-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(4-butyltriazol-1-yl)-2-methoxyphenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(4-butyltriazol-1-yl)-3-methoxyphenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(4-butyltriazol-1-yl)phenyl]-3-(3-fluorophenyl)propan-2-one;1-[6-(4-butyltriazol-1-yl)-3-pyridinyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one.
What is the SMILES notation for 1-[4-(5-butyl-1,2-oxazol-3-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(4-butyltriazol-1-yl)-2-methoxyphenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(4-butyltriazol-1-yl)-3-methoxyphenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(4-butyltriazol-1-yl)phenyl]-3-(3-fluorophenyl)propan-2-one;1-[6-(4-butyltriazol-1-yl)-3-pyridinyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one?
The canonical SMILES for 1-[4-(5-butyl-1,2-oxazol-3-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(4-butyltriazol-1-yl)-2-methoxyphenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(4-butyltriazol-1-yl)-3-methoxyphenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(4-butyltriazol-1-yl)phenyl]-3-(3-fluorophenyl)propan-2-one;1-[6-(4-butyltriazol-1-yl)-3-pyridinyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one is CCCCc1cc(-c2ccc(CC(=O)Cc3ccccc3C(F)(F)F)cc2)no1.CCCCc1cn(-c2ccc(CC(=O)Cc3cccc(F)c3)cc2)nn1.CCCCc1cn(-c2ccc(CC(=O)Cc3ccccc3C(F)(F)F)c(OC)c2)nn1.CCCCc1cn(-c2ccc(CC(=O)Cc3ccccc3C(F)(F)F)cc2OC)nn1.CCCCc1cn(-c2ccc(CC(=O)Cc3ccccc3C(F)(F)F)cn2)nn1.
What is the InChIKey of 1-[4-(5-butyl-1,2-oxazol-3-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(4-butyltriazol-1-yl)-2-methoxyphenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(4-butyltriazol-1-yl)-3-methoxyphenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(4-butyltriazol-1-yl)phenyl]-3-(3-fluorophenyl)propan-2-one;1-[6-(4-butyltriazol-1-yl)-3-pyridinyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one?
The InChIKey is LRTGGORDAJPOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H24F3N3O2.C23H22F3NO2.C21H21F3N4O.C21H22FN3O/c1-3-4-8-18-15-29(28-27-18)21-11-10-16(13-22(21)31-2)12-19(30)14-17-7-5-6-9-20(17)23(24,25)26;1-3-4-8-18-15-29(28-27-18)19-11-10-17(22(14-19)31-2)13-20(30)12-16-7-5-6-9-21(16)23(24,25)26;1-2-3-7-20-15-22(27-29-20)17-11-9-16(10-12-17)13-19(28)14-18-6-4-5-8-21(18)23(24,25)26;1-2-3-7-17-14-28(27-26-17)20-10-9-15(13-25-20)11-18(29)12-16-6-4-5-8-19(16)21(22,23)24;1-2-3-7-19-15-25(24-23-19)20-10-8-16(9-11-20)13-21(26)14-17-5-4-6-18(22)12-17/h5-7,9-11,13,15H,3-4,8,12,14H2,1-2H3;5-7,9-11,14-15H,3-4,8,12-13H2,1-2H3;4-6,8-12,15H,2-3,7,13-14H2,1H3;4-6,8-10,13-14H,2-3,7,11-12H2,1H3;4-6,8-12,15H,2-3,7,13-14H2,1H3.
What are the key properties of 1-[4-(5-butyl-1,2-oxazol-3-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(4-butyltriazol-1-yl)-2-methoxyphenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(4-butyltriazol-1-yl)-3-methoxyphenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(4-butyltriazol-1-yl)phenyl]-3-(3-fluorophenyl)propan-2-one;1-[6-(4-butyltriazol-1-yl)-3-pyridinyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one?
1-[4-(5-butyl-1,2-oxazol-3-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(4-butyltriazol-1-yl)-2-methoxyphenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(4-butyltriazol-1-yl)-3-methoxyphenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(4-butyltriazol-1-yl)phenyl]-3-(3-fluorophenyl)propan-2-one;1-[6-(4-butyltriazol-1-yl)-3-pyridinyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one has a molecular weight of 2018.19 g/mol, XLogP of 24.52, 42 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-butyl-1,2-oxazol-3-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(4-butyltriazol-1-yl)-2-methoxyphenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(4-butyltriazol-1-yl)-3-methoxyphenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(4-butyltriazol-1-yl)phenyl]-3-(3-fluorophenyl)propan-2-one;1-[6-(4-butyltriazol-1-yl)-3-pyridinyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one is sourced from PubChem (CID 159437439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).