cyclohexyl-[4-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]methanone;cyclohexyl-[4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]methanone;2,2-dimethyl-1-[4-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]propan-1-one;2,2-dimethyl-1-[4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]propan-1-one;[4-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]-piperidin-1-ylmethanone;piperidin-1-yl-[4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]methanone

C99H96F18N8O12 — CID 158432938

IUPACcyclohexyl-[4-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]methanone;cyclohexyl-[4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]methanone;2,2-dimethyl-1-[4-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]propan-1-one;2,2-dimethyl-1-[4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]propan-1-one;[4-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]-piperidin-1-ylmethanone;piperidin-1-yl-[4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]methanone
SMILESCC(C)(C)C(=O)c1ccc(-c2cc(C(F)(F)F)on2)cc1.Cc1c(-c2ccc(C(=O)C(C)(C)C)cc2)noc1C(F)(F)F.Cc1c(-c2ccc(C(=O)C3CCCCC3)cc2)noc1C(F)(F)F.Cc1c(-c2ccc(C(=O)N3CCCCC3)cc2)noc1C(F)(F)F.O=C(c1ccc(-c2cc(C(F)(F)F)on2)cc1)C1CCCCC1.O=C(c1ccc(-c2cc(C(F)(F)F)on2)cc1)N1CCCCC1
InChIInChI=1S/C18H18F3NO2.C17H17F3N2O2.C17H16F3NO2.C16H15F3N2O2.C16H16F3NO2.C15H14F3NO2/c1-11-15(22-24-17(11)18(19,20)21)12-7-9-14(10-8-12)16(23)13-5-3-2-4-6-13;1-11-14(21-24-15(11)17(18,19)20)12-5-7-13(8-6-12)16(23)22-9-3-2-4-10-22;18-17(19,20)15-10-14(21-23-15)11-6-8-13(9-7-11)16(22)12-4-2-1-3-5-12;17-16(18,19)14-10-13(20-23-14)11-4-6-12(7-5-11)15(22)21-8-2-1-3-9-21;1-9-12(20-22-14(9)16(17,18)19)10-5-7-11(8-6-10)13(21)15(2,3)4;1-14(2,3)13(20)10-6-4-9(5-7-10)11-8-12(21-19-11)15(16,17)18/h7-10,13H,2-6H2,1H3;5-8H,2-4,9-10H2,1H3;6-10,12H,1-5H2;4-7,10H,1-3,8-9H2;5-8H,1-4H3;4-8H,1-3H3
InChIKeyHBWMWYQAEMYKTP-UHFFFAOYSA-N
MW1931.86 g/mol
LogP28.32
Rot. Bonds14

About cyclohexyl-[4-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]methanone;cyclohexyl-[4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]methanone;2,2-dimethyl-1-[4-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]propan-1-one;2,2-dimethyl-1-[4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]propan-1-one;[4-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]-piperidin-1-ylmethanone;piperidin-1-yl-[4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]methanone

cyclohexyl-[4-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]methanone;cyclohexyl-[4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]methanone;2,2-dimethyl-1-[4-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]propan-1-one;2,2-dimethyl-1-[4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]propan-1-one;[4-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]-piperidin-1-ylmethanone;piperidin-1-yl-[4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]methanone (PubChem CID 158432938) has the molecular formula C99H96F18N8O12 and a molecular weight of 1931.86 g/mol. Its IUPAC name is cyclohexyl-[4-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]methanone;cyclohexyl-[4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]methanone;2,2-dimethyl-1-[4-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]propan-1-one;2,2-dimethyl-1-[4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]propan-1-one;[4-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]-piperidin-1-ylmethanone;piperidin-1-yl-[4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]methanone.

Molecular Properties

Compound Namecyclohexyl-[4-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]methanone;cyclohexyl-[4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]methanone;2,2-dimethyl-1-[4-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]propan-1-one;2,2-dimethyl-1-[4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]propan-1-one;[4-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]-piperidin-1-ylmethanone;piperidin-1-yl-[4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]methanone
PubChem CID158432938
Molecular FormulaC99H96F18N8O12
Molecular Weight1931.86 g/mol
Exact Mass1930.69
IUPAC Namecyclohexyl-[4-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]methanone;cyclohexyl-[4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]methanone;2,2-dimethyl-1-[4-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]propan-1-one;2,2-dimethyl-1-[4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]propan-1-one;[4-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]-piperidin-1-ylmethanone;piperidin-1-yl-[4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]methanone
SMILESCC(C)(C)C(=O)c1ccc(-c2cc(C(F)(F)F)on2)cc1.Cc1c(-c2ccc(C(=O)C(C)(C)C)cc2)noc1C(F)(F)F.Cc1c(-c2ccc(C(=O)C3CCCCC3)cc2)noc1C(F)(F)F.Cc1c(-c2ccc(C(=O)N3CCCCC3)cc2)noc1C(F)(F)F.O=C(c1ccc(-c2cc(C(F)(F)F)on2)cc1)C1CCCCC1.O=C(c1ccc(-c2cc(C(F)(F)F)on2)cc1)N1CCCCC1
InChIInChI=1S/C18H18F3NO2.C17H17F3N2O2.C17H16F3NO2.C16H15F3N2O2.C16H16F3NO2.C15H14F3NO2/c1-11-15(22-24-17(11)18(19,20)21)12-7-9-14(10-8-12)16(23)13-5-3-2-4-6-13;1-11-14(21-24-15(11)17(18,19)20)12-5-7-13(8-6-12)16(23)22-9-3-2-4-10-22;18-17(19,20)15-10-14(21-23-15)11-6-8-13(9-7-11)16(22)12-4-2-1-3-5-12;17-16(18,19)14-10-13(20-23-14)11-4-6-12(7-5-11)15(22)21-8-2-1-3-9-21;1-9-12(20-22-14(9)16(17,18)19)10-5-7-11(8-6-10)13(21)15(2,3)4;1-14(2,3)13(20)10-6-4-9(5-7-10)11-8-12(21-19-11)15(16,17)18/h7-10,13H,2-6H2,1H3;5-8H,2-4,9-10H2,1H3;6-10,12H,1-5H2;4-7,10H,1-3,8-9H2;5-8H,1-4H3;4-8H,1-3H3
InChIKeyHBWMWYQAEMYKTP-UHFFFAOYSA-N
XLogP28.32
TPSA265.08 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds14
Heavy Atoms137
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001931.86
LogP ≤ 528.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze cyclohexyl-[4-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]methanone;cyclohexyl-[4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]methanone;2,2-dimethyl-1-[4-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]propan-1-one;2,2-dimethyl-1-[4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]propan-1-one;[4-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]-piperidin-1-ylmethanone;piperidin-1-yl-[4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[4-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]methanone;cyclohexyl-[4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]methanone;2,2-dimethyl-1-[4-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]propan-1-one;2,2-dimethyl-1-[4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]propan-1-one;[4-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]-piperidin-1-ylmethanone;piperidin-1-yl-[4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]methanone?
The IUPAC name of cyclohexyl-[4-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]methanone;cyclohexyl-[4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]methanone;2,2-dimethyl-1-[4-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]propan-1-one;2,2-dimethyl-1-[4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]propan-1-one;[4-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]-piperidin-1-ylmethanone;piperidin-1-yl-[4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]methanone (CID 158432938) is cyclohexyl-[4-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]methanone;cyclohexyl-[4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]methanone;2,2-dimethyl-1-[4-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]propan-1-one;2,2-dimethyl-1-[4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]propan-1-one;[4-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]-piperidin-1-ylmethanone;piperidin-1-yl-[4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]methanone.
What is the SMILES notation for cyclohexyl-[4-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]methanone;cyclohexyl-[4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]methanone;2,2-dimethyl-1-[4-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]propan-1-one;2,2-dimethyl-1-[4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]propan-1-one;[4-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]-piperidin-1-ylmethanone;piperidin-1-yl-[4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]methanone?
The canonical SMILES for cyclohexyl-[4-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]methanone;cyclohexyl-[4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]methanone;2,2-dimethyl-1-[4-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]propan-1-one;2,2-dimethyl-1-[4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]propan-1-one;[4-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]-piperidin-1-ylmethanone;piperidin-1-yl-[4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]methanone is CC(C)(C)C(=O)c1ccc(-c2cc(C(F)(F)F)on2)cc1.Cc1c(-c2ccc(C(=O)C(C)(C)C)cc2)noc1C(F)(F)F.Cc1c(-c2ccc(C(=O)C3CCCCC3)cc2)noc1C(F)(F)F.Cc1c(-c2ccc(C(=O)N3CCCCC3)cc2)noc1C(F)(F)F.O=C(c1ccc(-c2cc(C(F)(F)F)on2)cc1)C1CCCCC1.O=C(c1ccc(-c2cc(C(F)(F)F)on2)cc1)N1CCCCC1.
What is the InChIKey of cyclohexyl-[4-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]methanone;cyclohexyl-[4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]methanone;2,2-dimethyl-1-[4-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]propan-1-one;2,2-dimethyl-1-[4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]propan-1-one;[4-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]-piperidin-1-ylmethanone;piperidin-1-yl-[4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]methanone?
The InChIKey is HBWMWYQAEMYKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3NO2.C17H17F3N2O2.C17H16F3NO2.C16H15F3N2O2.C16H16F3NO2.C15H14F3NO2/c1-11-15(22-24-17(11)18(19,20)21)12-7-9-14(10-8-12)16(23)13-5-3-2-4-6-13;1-11-14(21-24-15(11)17(18,19)20)12-5-7-13(8-6-12)16(23)22-9-3-2-4-10-22;18-17(19,20)15-10-14(21-23-15)11-6-8-13(9-7-11)16(22)12-4-2-1-3-5-12;17-16(18,19)14-10-13(20-23-14)11-4-6-12(7-5-11)15(22)21-8-2-1-3-9-21;1-9-12(20-22-14(9)16(17,18)19)10-5-7-11(8-6-10)13(21)15(2,3)4;1-14(2,3)13(20)10-6-4-9(5-7-10)11-8-12(21-19-11)15(16,17)18/h7-10,13H,2-6H2,1H3;5-8H,2-4,9-10H2,1H3;6-10,12H,1-5H2;4-7,10H,1-3,8-9H2;5-8H,1-4H3;4-8H,1-3H3.
What are the key properties of cyclohexyl-[4-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]methanone;cyclohexyl-[4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]methanone;2,2-dimethyl-1-[4-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]propan-1-one;2,2-dimethyl-1-[4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]propan-1-one;[4-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]-piperidin-1-ylmethanone;piperidin-1-yl-[4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]methanone?
cyclohexyl-[4-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]methanone;cyclohexyl-[4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]methanone;2,2-dimethyl-1-[4-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]propan-1-one;2,2-dimethyl-1-[4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]propan-1-one;[4-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]-piperidin-1-ylmethanone;piperidin-1-yl-[4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]methanone has a molecular weight of 1931.86 g/mol, XLogP of 28.32, 14 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[4-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]methanone;cyclohexyl-[4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]methanone;2,2-dimethyl-1-[4-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]propan-1-one;2,2-dimethyl-1-[4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]propan-1-one;[4-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]-piperidin-1-ylmethanone;piperidin-1-yl-[4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]methanone is sourced from PubChem (CID 158432938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).