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-(fluoromethyl)triazol-1-yl]phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one

C86H79F13N8O7 — CID 157452988

IUPAC1-[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-(fluoromethyl)triazol-1-yl]phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one
SMILESCCCCc1cc(-c2ccc(CC(=O)Cc3ccccc3C(F)(F)F)cc2)no1.CCCCc1nc(-c2ccc(CC(=O)Cc3ccccc3C(F)(F)F)cc2)no1.CCCCc1nnc(-c2ccc(CC(=O)Cc3ccccc3C(F)(F)F)cc2)o1.O=C(Cc1ccc(-n2cc(CF)nn2)cc1)Cc1ccccc1C(F)(F)F
InChIInChI=1S/C23H22F3NO2.2C22H21F3N2O2.C19H15F4N3O/c1-2-3-7-20-15-22(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;1-2-3-8-20-26-27-21(29-20)16-11-9-15(10-12-16)13-18(28)14-17-6-4-5-7-19(17)22(23,24)25;1-2-3-8-20-26-21(27-29-20)16-11-9-15(10-12-16)13-18(28)14-17-6-4-5-7-19(17)22(23,24)25;20-11-15-12-26(25-24-15)16-7-5-13(6-8-16)9-17(27)10-14-3-1-2-4-18(14)19(21,22)23/h4-6,8-12,15H,2-3,7,13-14H2,1H3;2*4-7,9-12H,2-3,8,13-14H2,1H3;1-8,12H,9-11H2
InChIKeyBSZZLUYNJAGUPM-UHFFFAOYSA-N
MW1583.60 g/mol
LogP21.07
Rot. Bonds30

About 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-(fluoromethyl)triazol-1-yl]phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one

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-(fluoromethyl)triazol-1-yl]phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one (PubChem CID 157452988) has the molecular formula C86H79F13N8O7 and a molecular weight of 1583.60 g/mol. Its IUPAC name is 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-(fluoromethyl)triazol-1-yl]phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one.

Molecular Properties

Compound Name1-[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-(fluoromethyl)triazol-1-yl]phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one
PubChem CID157452988
Molecular FormulaC86H79F13N8O7
Molecular Weight1583.60 g/mol
Exact Mass1582.59
IUPAC Name1-[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-(fluoromethyl)triazol-1-yl]phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one
SMILESCCCCc1cc(-c2ccc(CC(=O)Cc3ccccc3C(F)(F)F)cc2)no1.CCCCc1nc(-c2ccc(CC(=O)Cc3ccccc3C(F)(F)F)cc2)no1.CCCCc1nnc(-c2ccc(CC(=O)Cc3ccccc3C(F)(F)F)cc2)o1.O=C(Cc1ccc(-n2cc(CF)nn2)cc1)Cc1ccccc1C(F)(F)F
InChIInChI=1S/C23H22F3NO2.2C22H21F3N2O2.C19H15F4N3O/c1-2-3-7-20-15-22(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;1-2-3-8-20-26-27-21(29-20)16-11-9-15(10-12-16)13-18(28)14-17-6-4-5-7-19(17)22(23,24)25;1-2-3-8-20-26-21(27-29-20)16-11-9-15(10-12-16)13-18(28)14-17-6-4-5-7-19(17)22(23,24)25;20-11-15-12-26(25-24-15)16-7-5-13(6-8-16)9-17(27)10-14-3-1-2-4-18(14)19(21,22)23/h4-6,8-12,15H,2-3,7,13-14H2,1H3;2*4-7,9-12H,2-3,8,13-14H2,1H3;1-8,12H,9-11H2
InChIKeyBSZZLUYNJAGUPM-UHFFFAOYSA-N
XLogP21.07
TPSA202.86 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds30
Heavy Atoms114
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001583.60
LogP ≤ 521.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 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-(fluoromethyl)triazol-1-yl]phenyl]-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
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
Benzene;ethane;bis(2-methylpropane);naphthalene;3-phenyl-5-propan-2-yl-1,2,4-oxadiazole;3-phenyl-5-propan-2-yl-1,2-oxazole;1-phenyl-4-propan-2-yltriazole;5-(4-propan-2-ylphenyl)-1,2-oxazole;1-(4-propan-2-ylphenyl)pyrazole
CID 157229292
Benzene;cumene;ethane;methane;2-methylpropane;naphthalene;3-phenyl-5-propan-2-yl-1,2,4-oxadiazole;3-phenyl-5-propan-2-yl-1,2-oxazole;1-phenyl-4-propan-2-yltriazole;5-(4-propan-2-ylphenyl)-1,2-oxazole;1-(4-propan-2-ylphenyl)pyrazole
CID 157719006
Ethane;1-phenyl-3-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;3-phenyl-5-propan-2-yl-1,2,4-oxadiazole;3-phenyl-5-propan-2-yl-1,2-oxazole;1-phenyl-4-propan-2-yltriazole;2-propan-2-ylnaphthalene;5-(4-propan-2-ylphenyl)-1,2-oxazole;1-(4-propan-2-ylphenyl)pyrazole;2-(4-propan-2-ylphenyl)pyridine;4-(4-propan-2-ylphenyl)pyridine
CID 160508821
Benzene;cumene;ethane;2-methylpropane;naphthalene;3-phenyl-5-propan-2-yl-1,2,4-oxadiazole;3-phenyl-5-propan-2-yl-1,2-oxazole;1-phenyl-4-propan-2-yltriazole;5-(4-propan-2-ylphenyl)-1,2-oxazole;1-(4-propan-2-ylphenyl)pyrazole
CID 160612655
Ethane;1-phenyl-3-propan-2-ylbenzene;bis(1-phenyl-4-propan-2-ylbenzene);3-phenyl-5-propan-2-yl-1,2,4-oxadiazole;3-phenyl-5-propan-2-yl-1,2-oxazole;1-phenyl-4-propan-2-yltriazole;2-propan-2-ylnaphthalene;5-(4-propan-2-ylphenyl)-1,2-oxazole;1-(4-propan-2-ylphenyl)pyrazole;2-(4-propan-2-ylphenyl)pyridine
CID 161463089

Frequently Asked Questions

What is the IUPAC name of 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-(fluoromethyl)triazol-1-yl]phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one?
The IUPAC name of 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-(fluoromethyl)triazol-1-yl]phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one (CID 157452988) is 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-(fluoromethyl)triazol-1-yl]phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one.
What is the SMILES notation for 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-(fluoromethyl)triazol-1-yl]phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one?
The canonical SMILES for 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-(fluoromethyl)triazol-1-yl]phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one is CCCCc1cc(-c2ccc(CC(=O)Cc3ccccc3C(F)(F)F)cc2)no1.CCCCc1nc(-c2ccc(CC(=O)Cc3ccccc3C(F)(F)F)cc2)no1.CCCCc1nnc(-c2ccc(CC(=O)Cc3ccccc3C(F)(F)F)cc2)o1.O=C(Cc1ccc(-n2cc(CF)nn2)cc1)Cc1ccccc1C(F)(F)F.
What is the InChIKey of 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-(fluoromethyl)triazol-1-yl]phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one?
The InChIKey is BSZZLUYNJAGUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3NO2.2C22H21F3N2O2.C19H15F4N3O/c1-2-3-7-20-15-22(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;1-2-3-8-20-26-27-21(29-20)16-11-9-15(10-12-16)13-18(28)14-17-6-4-5-7-19(17)22(23,24)25;1-2-3-8-20-26-21(27-29-20)16-11-9-15(10-12-16)13-18(28)14-17-6-4-5-7-19(17)22(23,24)25;20-11-15-12-26(25-24-15)16-7-5-13(6-8-16)9-17(27)10-14-3-1-2-4-18(14)19(21,22)23/h4-6,8-12,15H,2-3,7,13-14H2,1H3;2*4-7,9-12H,2-3,8,13-14H2,1H3;1-8,12H,9-11H2.
What are the key properties of 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-(fluoromethyl)triazol-1-yl]phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one?
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-(fluoromethyl)triazol-1-yl]phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one has a molecular weight of 1583.60 g/mol, XLogP of 21.07, 30 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 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-(fluoromethyl)triazol-1-yl]phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one is sourced from PubChem (CID 157452988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).