2-[6-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[6-[4-[2-[2-fluoro-6-(trifluoromethyl)phenyl]acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[6-[4-[2-(2-methoxyphenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[2-[4-[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]piperazin-1-yl]-2-oxoethyl]benzonitrile;2-[6-[4-[2-(2-phenylphenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone

C152H158ClF19N26O16 — CID 159527882

IUPAC2-[6-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[6-[4-[2-[2-fluoro-6-(trifluoromethyl)phenyl]acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[6-[4-[2-(2-methoxyphenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[2-[4-[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]piperazin-1-yl]-2-oxoethyl]benzonitrile;2-[6-[4-[2-(2-phenylphenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone
SMILESCC1CCCN(c2nc(C(F)(F)F)c(C(=O)Cc3ccc(N4CCN(C(=O)Cc5ccccc5C#N)CC4)nc3)o2)C1.CC1CCCN(c2nc(C(F)(F)F)c(C(=O)Cc3ccc(N4CCN(C(=O)Cc5ccccc5Cl)CC4)nc3)o2)C1.COc1ccccc1CC(=O)N1CCN(c2ccc(CC(=O)c3oc(N4CCCC(C)C4)nc3C(F)(F)F)cn2)CC1.O=C(Cc1ccc(N2CCN(C(=O)Cc3c(F)cccc3C(F)(F)F)CC2)nc1)c1oc(N2CCCCC2)nc1C(F)(F)F.O=C(Cc1ccc(N2CCN(C(=O)Cc3ccccc3-c3ccccc3)CC2)nc1)c1oc(N2CCCCC2)nc1C(F)(F)F
InChIInChI=1S/C34H34F3N5O3.C30H31F3N6O3.C30H34F3N5O4.C29H31ClF3N5O3.C29H28F7N5O3/c35-34(36,37)32-31(45-33(39-32)42-15-7-2-8-16-42)28(43)21-24-13-14-29(38-23-24)40-17-19-41(20-18-40)30(44)22-26-11-5-6-12-27(26)25-9-3-1-4-10-25;1-20-5-4-10-39(19-20)29-36-28(30(31,32)33)27(42-29)24(40)15-21-8-9-25(35-18-21)37-11-13-38(14-12-37)26(41)16-22-6-2-3-7-23(22)17-34;1-20-6-5-11-38(19-20)29-35-28(30(31,32)33)27(42-29)23(39)16-21-9-10-25(34-18-21)36-12-14-37(15-13-36)26(40)17-22-7-3-4-8-24(22)41-2;1-19-5-4-10-38(18-19)28-35-27(29(31,32)33)26(41-28)23(39)15-20-8-9-24(34-17-20)36-11-13-37(14-12-36)25(40)16-21-6-2-3-7-22(21)30;30-21-6-4-5-20(28(31,32)33)19(21)16-24(43)40-13-11-39(12-14-40)23-8-7-18(17-37-23)15-22(42)25-26(29(34,35)36)38-27(44-25)41-9-2-1-3-10-41/h1,3-6,9-14,23H,2,7-8,15-22H2;2-3,6-9,18,20H,4-5,10-16,19H2,1H3;3-4,7-10,18,20H,5-6,11-17,19H2,1-2H3;2-3,6-9,17,19H,4-5,10-16,18H2,1H3;4-8,17H,1-3,9-16H2
InChIKeyMCPNOSZPAXFVIR-UHFFFAOYSA-N
MW3001.52 g/mol
LogP26.07
Rot. Bonds37

About 2-[6-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[6-[4-[2-[2-fluoro-6-(trifluoromethyl)phenyl]acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[6-[4-[2-(2-methoxyphenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[2-[4-[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]piperazin-1-yl]-2-oxoethyl]benzonitrile;2-[6-[4-[2-(2-phenylphenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone

2-[6-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[6-[4-[2-[2-fluoro-6-(trifluoromethyl)phenyl]acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[6-[4-[2-(2-methoxyphenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[2-[4-[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]piperazin-1-yl]-2-oxoethyl]benzonitrile;2-[6-[4-[2-(2-phenylphenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone (PubChem CID 159527882) has the molecular formula C152H158ClF19N26O16 and a molecular weight of 3001.52 g/mol. Its IUPAC name is 2-[6-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[6-[4-[2-[2-fluoro-6-(trifluoromethyl)phenyl]acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[6-[4-[2-(2-methoxyphenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[2-[4-[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]piperazin-1-yl]-2-oxoethyl]benzonitrile;2-[6-[4-[2-(2-phenylphenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone.

Molecular Properties

Compound Name2-[6-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[6-[4-[2-[2-fluoro-6-(trifluoromethyl)phenyl]acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[6-[4-[2-(2-methoxyphenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[2-[4-[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]piperazin-1-yl]-2-oxoethyl]benzonitrile;2-[6-[4-[2-(2-phenylphenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone
PubChem CID159527882
Molecular FormulaC152H158ClF19N26O16
Molecular Weight3001.52 g/mol
Exact Mass2999.17
IUPAC Name2-[6-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[6-[4-[2-[2-fluoro-6-(trifluoromethyl)phenyl]acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[6-[4-[2-(2-methoxyphenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[2-[4-[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]piperazin-1-yl]-2-oxoethyl]benzonitrile;2-[6-[4-[2-(2-phenylphenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone
SMILESCC1CCCN(c2nc(C(F)(F)F)c(C(=O)Cc3ccc(N4CCN(C(=O)Cc5ccccc5C#N)CC4)nc3)o2)C1.CC1CCCN(c2nc(C(F)(F)F)c(C(=O)Cc3ccc(N4CCN(C(=O)Cc5ccccc5Cl)CC4)nc3)o2)C1.COc1ccccc1CC(=O)N1CCN(c2ccc(CC(=O)c3oc(N4CCCC(C)C4)nc3C(F)(F)F)cn2)CC1.O=C(Cc1ccc(N2CCN(C(=O)Cc3c(F)cccc3C(F)(F)F)CC2)nc1)c1oc(N2CCCCC2)nc1C(F)(F)F.O=C(Cc1ccc(N2CCN(C(=O)Cc3ccccc3-c3ccccc3)CC2)nc1)c1oc(N2CCCCC2)nc1C(F)(F)F
InChIInChI=1S/C34H34F3N5O3.C30H31F3N6O3.C30H34F3N5O4.C29H31ClF3N5O3.C29H28F7N5O3/c35-34(36,37)32-31(45-33(39-32)42-15-7-2-8-16-42)28(43)21-24-13-14-29(38-23-24)40-17-19-41(20-18-40)30(44)22-26-11-5-6-12-27(26)25-9-3-1-4-10-25;1-20-5-4-10-39(19-20)29-36-28(30(31,32)33)27(42-29)24(40)15-21-8-9-25(35-18-21)37-11-13-38(14-12-37)26(41)16-22-6-2-3-7-23(22)17-34;1-20-6-5-11-38(19-20)29-35-28(30(31,32)33)27(42-29)23(39)16-21-9-10-25(34-18-21)36-12-14-37(15-13-36)26(40)17-22-7-3-4-8-24(22)41-2;1-19-5-4-10-38(18-19)28-35-27(29(31,32)33)26(41-28)23(39)15-20-8-9-24(34-17-20)36-11-13-37(14-12-36)25(40)16-21-6-2-3-7-22(21)30;30-21-6-4-5-20(28(31,32)33)19(21)16-24(43)40-13-11-39(12-14-40)23-8-7-18(17-37-23)15-22(42)25-26(29(34,35)36)38-27(44-25)41-9-2-1-3-10-41/h1,3-6,9-14,23H,2,7-8,15-22H2;2-3,6-9,18,20H,4-5,10-16,19H2,1H3;3-4,7-10,18,20H,5-6,11-17,19H2,1-2H3;2-3,6-9,17,19H,4-5,10-16,18H2,1H3;4-8,17H,1-3,9-16H2
InChIKeyMCPNOSZPAXFVIR-UHFFFAOYSA-N
XLogP26.07
TPSA446.92 Ų
H-Bond Donors
H-Bond Acceptors37
Rotatable Bonds37
Heavy Atoms214
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003001.52
LogP ≤ 526.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1037

Analyze 2-[6-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[6-[4-[2-[2-fluoro-6-(trifluoromethyl)phenyl]acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[6-[4-[2-(2-methoxyphenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[2-[4-[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]piperazin-1-yl]-2-oxoethyl]benzonitrile;2-[6-[4-[2-(2-phenylphenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[6-[4-[2-[2-fluoro-6-(trifluoromethyl)phenyl]acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[6-[4-[2-(2-methoxyphenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[2-[4-[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]piperazin-1-yl]-2-oxoethyl]benzonitrile;2-[6-[4-[2-(2-phenylphenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone?
The IUPAC name of 2-[6-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[6-[4-[2-[2-fluoro-6-(trifluoromethyl)phenyl]acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[6-[4-[2-(2-methoxyphenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[2-[4-[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]piperazin-1-yl]-2-oxoethyl]benzonitrile;2-[6-[4-[2-(2-phenylphenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone (CID 159527882) is 2-[6-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[6-[4-[2-[2-fluoro-6-(trifluoromethyl)phenyl]acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[6-[4-[2-(2-methoxyphenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[2-[4-[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]piperazin-1-yl]-2-oxoethyl]benzonitrile;2-[6-[4-[2-(2-phenylphenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone.
What is the SMILES notation for 2-[6-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[6-[4-[2-[2-fluoro-6-(trifluoromethyl)phenyl]acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[6-[4-[2-(2-methoxyphenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[2-[4-[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]piperazin-1-yl]-2-oxoethyl]benzonitrile;2-[6-[4-[2-(2-phenylphenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone?
The canonical SMILES for 2-[6-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[6-[4-[2-[2-fluoro-6-(trifluoromethyl)phenyl]acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[6-[4-[2-(2-methoxyphenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[2-[4-[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]piperazin-1-yl]-2-oxoethyl]benzonitrile;2-[6-[4-[2-(2-phenylphenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone is CC1CCCN(c2nc(C(F)(F)F)c(C(=O)Cc3ccc(N4CCN(C(=O)Cc5ccccc5C#N)CC4)nc3)o2)C1.CC1CCCN(c2nc(C(F)(F)F)c(C(=O)Cc3ccc(N4CCN(C(=O)Cc5ccccc5Cl)CC4)nc3)o2)C1.COc1ccccc1CC(=O)N1CCN(c2ccc(CC(=O)c3oc(N4CCCC(C)C4)nc3C(F)(F)F)cn2)CC1.O=C(Cc1ccc(N2CCN(C(=O)Cc3c(F)cccc3C(F)(F)F)CC2)nc1)c1oc(N2CCCCC2)nc1C(F)(F)F.O=C(Cc1ccc(N2CCN(C(=O)Cc3ccccc3-c3ccccc3)CC2)nc1)c1oc(N2CCCCC2)nc1C(F)(F)F.
What is the InChIKey of 2-[6-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[6-[4-[2-[2-fluoro-6-(trifluoromethyl)phenyl]acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[6-[4-[2-(2-methoxyphenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[2-[4-[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]piperazin-1-yl]-2-oxoethyl]benzonitrile;2-[6-[4-[2-(2-phenylphenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone?
The InChIKey is MCPNOSZPAXFVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34F3N5O3.C30H31F3N6O3.C30H34F3N5O4.C29H31ClF3N5O3.C29H28F7N5O3/c35-34(36,37)32-31(45-33(39-32)42-15-7-2-8-16-42)28(43)21-24-13-14-29(38-23-24)40-17-19-41(20-18-40)30(44)22-26-11-5-6-12-27(26)25-9-3-1-4-10-25;1-20-5-4-10-39(19-20)29-36-28(30(31,32)33)27(42-29)24(40)15-21-8-9-25(35-18-21)37-11-13-38(14-12-37)26(41)16-22-6-2-3-7-23(22)17-34;1-20-6-5-11-38(19-20)29-35-28(30(31,32)33)27(42-29)23(39)16-21-9-10-25(34-18-21)36-12-14-37(15-13-36)26(40)17-22-7-3-4-8-24(22)41-2;1-19-5-4-10-38(18-19)28-35-27(29(31,32)33)26(41-28)23(39)15-20-8-9-24(34-17-20)36-11-13-37(14-12-36)25(40)16-21-6-2-3-7-22(21)30;30-21-6-4-5-20(28(31,32)33)19(21)16-24(43)40-13-11-39(12-14-40)23-8-7-18(17-37-23)15-22(42)25-26(29(34,35)36)38-27(44-25)41-9-2-1-3-10-41/h1,3-6,9-14,23H,2,7-8,15-22H2;2-3,6-9,18,20H,4-5,10-16,19H2,1H3;3-4,7-10,18,20H,5-6,11-17,19H2,1-2H3;2-3,6-9,17,19H,4-5,10-16,18H2,1H3;4-8,17H,1-3,9-16H2.
What are the key properties of 2-[6-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[6-[4-[2-[2-fluoro-6-(trifluoromethyl)phenyl]acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[6-[4-[2-(2-methoxyphenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[2-[4-[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]piperazin-1-yl]-2-oxoethyl]benzonitrile;2-[6-[4-[2-(2-phenylphenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone?
2-[6-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[6-[4-[2-[2-fluoro-6-(trifluoromethyl)phenyl]acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[6-[4-[2-(2-methoxyphenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[2-[4-[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]piperazin-1-yl]-2-oxoethyl]benzonitrile;2-[6-[4-[2-(2-phenylphenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone has a molecular weight of 3001.52 g/mol, XLogP of 26.07, 37 rotatable bonds, 0 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[6-[4-[2-[2-fluoro-6-(trifluoromethyl)phenyl]acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[6-[4-[2-(2-methoxyphenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[2-[4-[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]piperazin-1-yl]-2-oxoethyl]benzonitrile;2-[6-[4-[2-(2-phenylphenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone is sourced from PubChem (CID 159527882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).