(2R)-2-cyclohexyl-2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone;(2S)-2-cyclohexyl-2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone;2-hydroxy-2-(4-methylphenyl)-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone;(2R)-2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]-2-phenylethanone;2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]propan-1-one;methane

C144H149F15N20O20 — CID 159368072

IUPAC(2R)-2-cyclohexyl-2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone;(2S)-2-cyclohexyl-2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone;2-hydroxy-2-(4-methylphenyl)-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone;(2R)-2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]-2-phenylethanone;2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]propan-1-one;methane
SMILESC.C.C.CC(O)C(=O)N1CCN(c2ccc(CC(=O)c3oc(-c4ccccc4)nc3C(F)(F)F)cn2)CC1.Cc1ccc(C(O)C(=O)N2CCN(c3ccc(CC(=O)c4oc(-c5ccccc5)nc4C(F)(F)F)cn3)CC2)cc1.O=C(Cc1ccc(N2CCN(C(=O)[C@@H](O)C3CCCCC3)CC2)nc1)c1oc(-c2ccccc2)nc1C(F)(F)F.O=C(Cc1ccc(N2CCN(C(=O)[C@H](O)C3CCCCC3)CC2)nc1)c1oc(-c2ccccc2)nc1C(F)(F)F.O=C(Cc1ccc(N2CCN(C(=O)[C@H](O)c3ccccc3)CC2)nc1)c1oc(-c2ccccc2)nc1C(F)(F)F
InChIInChI=1S/C30H27F3N4O4.2C29H31F3N4O4.C29H25F3N4O4.C24H23F3N4O4.3CH4/c1-19-7-10-21(11-8-19)25(39)29(40)37-15-13-36(14-16-37)24-12-9-20(18-34-24)17-23(38)26-27(30(31,32)33)35-28(41-26)22-5-3-2-4-6-22;3*30-29(31,32)26-25(40-27(34-26)21-9-5-2-6-10-21)22(37)17-19-11-12-23(33-18-19)35-13-15-36(16-14-35)28(39)24(38)20-7-3-1-4-8-20;1-15(32)23(34)31-11-9-30(10-12-31)19-8-7-16(14-28-19)13-18(33)20-21(24(25,26)27)29-22(35-20)17-5-3-2-4-6-17;;;/h2-12,18,25,39H,13-17H2,1H3;2*2,5-6,9-12,18,20,24,38H,1,3-4,7-8,13-17H2;1-12,18,24,38H,13-17H2;2-8,14-15,32H,9-13H2,1H3;3*1H4/t;3*24-;;;;/m.101..../s1
InChIKeyLJJOMJHNHZDNIU-MCAHNHMVSA-N
MW2764.87 g/mol
LogP24.09
Rot. Bonds34

About (2R)-2-cyclohexyl-2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone;(2S)-2-cyclohexyl-2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone;2-hydroxy-2-(4-methylphenyl)-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone;(2R)-2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]-2-phenylethanone;2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]propan-1-one;methane

(2R)-2-cyclohexyl-2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone;(2S)-2-cyclohexyl-2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone;2-hydroxy-2-(4-methylphenyl)-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone;(2R)-2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]-2-phenylethanone;2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]propan-1-one;methane (PubChem CID 159368072) has the molecular formula C144H149F15N20O20 and a molecular weight of 2764.87 g/mol. Its IUPAC name is (2R)-2-cyclohexyl-2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone;(2S)-2-cyclohexyl-2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone;2-hydroxy-2-(4-methylphenyl)-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone;(2R)-2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]-2-phenylethanone;2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]propan-1-one;methane.

Molecular Properties

Compound Name(2R)-2-cyclohexyl-2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone;(2S)-2-cyclohexyl-2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone;2-hydroxy-2-(4-methylphenyl)-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone;(2R)-2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]-2-phenylethanone;2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]propan-1-one;methane
PubChem CID159368072
Molecular FormulaC144H149F15N20O20
Molecular Weight2764.87 g/mol
Exact Mass2763.10
IUPAC Name(2R)-2-cyclohexyl-2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone;(2S)-2-cyclohexyl-2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone;2-hydroxy-2-(4-methylphenyl)-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone;(2R)-2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]-2-phenylethanone;2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]propan-1-one;methane
SMILESC.C.C.CC(O)C(=O)N1CCN(c2ccc(CC(=O)c3oc(-c4ccccc4)nc3C(F)(F)F)cn2)CC1.Cc1ccc(C(O)C(=O)N2CCN(c3ccc(CC(=O)c4oc(-c5ccccc5)nc4C(F)(F)F)cn3)CC2)cc1.O=C(Cc1ccc(N2CCN(C(=O)[C@@H](O)C3CCCCC3)CC2)nc1)c1oc(-c2ccccc2)nc1C(F)(F)F.O=C(Cc1ccc(N2CCN(C(=O)[C@H](O)C3CCCCC3)CC2)nc1)c1oc(-c2ccccc2)nc1C(F)(F)F.O=C(Cc1ccc(N2CCN(C(=O)[C@H](O)c3ccccc3)CC2)nc1)c1oc(-c2ccccc2)nc1C(F)(F)F
InChIInChI=1S/C30H27F3N4O4.2C29H31F3N4O4.C29H25F3N4O4.C24H23F3N4O4.3CH4/c1-19-7-10-21(11-8-19)25(39)29(40)37-15-13-36(14-16-37)24-12-9-20(18-34-24)17-23(38)26-27(30(31,32)33)35-28(41-26)22-5-3-2-4-6-22;3*30-29(31,32)26-25(40-27(34-26)21-9-5-2-6-10-21)22(37)17-19-11-12-23(33-18-19)35-13-15-36(16-14-35)28(39)24(38)20-7-3-1-4-8-20;1-15(32)23(34)31-11-9-30(10-12-31)19-8-7-16(14-28-19)13-18(33)20-21(24(25,26)27)29-22(35-20)17-5-3-2-4-6-17;;;/h2-12,18,25,39H,13-17H2,1H3;2*2,5-6,9-12,18,20,24,38H,1,3-4,7-8,13-17H2;1-12,18,24,38H,13-17H2;2-8,14-15,32H,9-13H2,1H3;3*1H4/t;3*24-;;;;/m.101..../s1
InChIKeyLJJOMJHNHZDNIU-MCAHNHMVSA-N
XLogP24.09
TPSA498.85 Ų
H-Bond Donors5
H-Bond Acceptors35
Rotatable Bonds34
Heavy Atoms199
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002764.87
LogP ≤ 524.09
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1035

Analyze (2R)-2-cyclohexyl-2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone;(2S)-2-cyclohexyl-2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone;2-hydroxy-2-(4-methylphenyl)-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone;(2R)-2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]-2-phenylethanone;2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]propan-1-one;methane with MolForge

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Launch Full Analysis

Related Compounds

Methyl 4-[2-oxo-2-[4-[5-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethyl]benzoate
CID 58428799
4-[[1-[5-[2-[2-(3-Methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]piperidin-4-yl]oxymethyl]benzoic acid
CID 58428918
2-(2,5-Dimethylphenyl)-1-[4-[5-[2-[2-[3-(3-fluorophenyl)pyrrolidin-1-yl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]piperazin-1-yl]-2-hydroxyethanone
CID 58428925
2-(2,5-Dimethylphenyl)-2-hydroxy-1-[4-[5-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone
CID 58428948
(2R)-2-hydroxy-1-[4-[5-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]-2-phenylethanone
CID 58428981
(2R)-2-hydroxy-1-[4-[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]piperazin-1-yl]-2-phenylethanone
CID 58428987
2-(3,5-Difluorophenyl)-2-hydroxy-1-[4-[5-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone
CID 58429012
(2R)-1-[4-[5-[2-[2-[3-(3-fluorophenyl)pyrrolidin-1-yl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]piperazin-1-yl]-2-hydroxy-2-phenylethanone
CID 58429170
2-(2,5-Difluorophenyl)-2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone
CID 58431584
(2R)-2-cyclohexyl-2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone
CID 58431589
3,3,3-Trifluoro-2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]propan-1-one
CID 58431614
2-Hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 58431620

Frequently Asked Questions

What is the IUPAC name of (2R)-2-cyclohexyl-2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone;(2S)-2-cyclohexyl-2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone;2-hydroxy-2-(4-methylphenyl)-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone;(2R)-2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]-2-phenylethanone;2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]propan-1-one;methane?
The IUPAC name of (2R)-2-cyclohexyl-2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone;(2S)-2-cyclohexyl-2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone;2-hydroxy-2-(4-methylphenyl)-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone;(2R)-2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]-2-phenylethanone;2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]propan-1-one;methane (CID 159368072) is (2R)-2-cyclohexyl-2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone;(2S)-2-cyclohexyl-2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone;2-hydroxy-2-(4-methylphenyl)-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone;(2R)-2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]-2-phenylethanone;2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]propan-1-one;methane.
What is the SMILES notation for (2R)-2-cyclohexyl-2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone;(2S)-2-cyclohexyl-2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone;2-hydroxy-2-(4-methylphenyl)-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone;(2R)-2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]-2-phenylethanone;2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]propan-1-one;methane?
The canonical SMILES for (2R)-2-cyclohexyl-2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone;(2S)-2-cyclohexyl-2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone;2-hydroxy-2-(4-methylphenyl)-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone;(2R)-2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]-2-phenylethanone;2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]propan-1-one;methane is C.C.C.CC(O)C(=O)N1CCN(c2ccc(CC(=O)c3oc(-c4ccccc4)nc3C(F)(F)F)cn2)CC1.Cc1ccc(C(O)C(=O)N2CCN(c3ccc(CC(=O)c4oc(-c5ccccc5)nc4C(F)(F)F)cn3)CC2)cc1.O=C(Cc1ccc(N2CCN(C(=O)[C@@H](O)C3CCCCC3)CC2)nc1)c1oc(-c2ccccc2)nc1C(F)(F)F.O=C(Cc1ccc(N2CCN(C(=O)[C@H](O)C3CCCCC3)CC2)nc1)c1oc(-c2ccccc2)nc1C(F)(F)F.O=C(Cc1ccc(N2CCN(C(=O)[C@H](O)c3ccccc3)CC2)nc1)c1oc(-c2ccccc2)nc1C(F)(F)F.
What is the InChIKey of (2R)-2-cyclohexyl-2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone;(2S)-2-cyclohexyl-2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone;2-hydroxy-2-(4-methylphenyl)-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone;(2R)-2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]-2-phenylethanone;2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]propan-1-one;methane?
The InChIKey is LJJOMJHNHZDNIU-MCAHNHMVSA-N. The full InChI is InChI=1S/C30H27F3N4O4.2C29H31F3N4O4.C29H25F3N4O4.C24H23F3N4O4.3CH4/c1-19-7-10-21(11-8-19)25(39)29(40)37-15-13-36(14-16-37)24-12-9-20(18-34-24)17-23(38)26-27(30(31,32)33)35-28(41-26)22-5-3-2-4-6-22;3*30-29(31,32)26-25(40-27(34-26)21-9-5-2-6-10-21)22(37)17-19-11-12-23(33-18-19)35-13-15-36(16-14-35)28(39)24(38)20-7-3-1-4-8-20;1-15(32)23(34)31-11-9-30(10-12-31)19-8-7-16(14-28-19)13-18(33)20-21(24(25,26)27)29-22(35-20)17-5-3-2-4-6-17;;;/h2-12,18,25,39H,13-17H2,1H3;2*2,5-6,9-12,18,20,24,38H,1,3-4,7-8,13-17H2;1-12,18,24,38H,13-17H2;2-8,14-15,32H,9-13H2,1H3;3*1H4/t;3*24-;;;;/m.101..../s1.
What are the key properties of (2R)-2-cyclohexyl-2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone;(2S)-2-cyclohexyl-2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone;2-hydroxy-2-(4-methylphenyl)-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone;(2R)-2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]-2-phenylethanone;2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]propan-1-one;methane?
(2R)-2-cyclohexyl-2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone;(2S)-2-cyclohexyl-2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone;2-hydroxy-2-(4-methylphenyl)-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone;(2R)-2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]-2-phenylethanone;2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]propan-1-one;methane has a molecular weight of 2764.87 g/mol, XLogP of 24.09, 34 rotatable bonds, 5 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cyclohexyl-2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone;(2S)-2-cyclohexyl-2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone;2-hydroxy-2-(4-methylphenyl)-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone;(2R)-2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]-2-phenylethanone;2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]propan-1-one;methane is sourced from PubChem (CID 159368072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).