1-[2-[cyclopentyl(methyl)amino]-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]ethanone;2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-[(E)-2-phenylethenyl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone

C60H57F8N9O6 — CID 123663195

IUPAC1-[2-[cyclopentyl(methyl)amino]-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]ethanone;2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-[(E)-2-phenylethenyl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone
SMILESCN(c1nc(C(F)(F)F)c(C(=O)Cc2ccc(N3CCN(C(=O)Cc4ccccc4F)CC3)nc2)o1)C1CCCC1.O=C(Cc1ccc(N2CCN(C(=O)Cc3ccccc3F)CC2)nc1)c1oc(/C=C/c2ccccc2)nc1C(F)(F)F
InChIInChI=1S/C31H26F4N4O3.C29H31F4N5O3/c32-24-9-5-4-8-23(24)19-28(41)39-16-14-38(15-17-39)26-12-10-22(20-36-26)18-25(40)29-30(31(33,34)35)37-27(42-29)13-11-21-6-2-1-3-7-21;1-36(21-7-3-4-8-21)28-35-27(29(31,32)33)26(41-28)23(39)16-19-10-11-24(34-18-19)37-12-14-38(15-13-37)25(40)17-20-6-2-5-9-22(20)30/h1-13,20H,14-19H2;2,5-6,9-11,18,21H,3-4,7-8,12-17H2,1H3/b13-11+;
InChIKeyHWRITNGGDIJWHK-BNSHTTSQSA-N
MW1152.16 g/mol
LogP10.64
Rot. Bonds16

About 1-[2-[cyclopentyl(methyl)amino]-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]ethanone;2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-[(E)-2-phenylethenyl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone

1-[2-[cyclopentyl(methyl)amino]-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]ethanone;2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-[(E)-2-phenylethenyl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone (PubChem CID 123663195) has the molecular formula C60H57F8N9O6 and a molecular weight of 1152.16 g/mol. Its IUPAC name is 1-[2-[cyclopentyl(methyl)amino]-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]ethanone;2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-[(E)-2-phenylethenyl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-[cyclopentyl(methyl)amino]-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]ethanone;2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-[(E)-2-phenylethenyl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone
PubChem CID123663195
Molecular FormulaC60H57F8N9O6
Molecular Weight1152.16 g/mol
Exact Mass1151.43
IUPAC Name1-[2-[cyclopentyl(methyl)amino]-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]ethanone;2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-[(E)-2-phenylethenyl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone
SMILESCN(c1nc(C(F)(F)F)c(C(=O)Cc2ccc(N3CCN(C(=O)Cc4ccccc4F)CC3)nc2)o1)C1CCCC1.O=C(Cc1ccc(N2CCN(C(=O)Cc3ccccc3F)CC2)nc1)c1oc(/C=C/c2ccccc2)nc1C(F)(F)F
InChIInChI=1S/C31H26F4N4O3.C29H31F4N5O3/c32-24-9-5-4-8-23(24)19-28(41)39-16-14-38(15-17-39)26-12-10-22(20-36-26)18-25(40)29-30(31(33,34)35)37-27(42-29)13-11-21-6-2-1-3-7-21;1-36(21-7-3-4-8-21)28-35-27(29(31,32)33)26(41-28)23(39)16-19-10-11-24(34-18-19)37-12-14-38(15-13-37)25(40)17-20-6-2-5-9-22(20)30/h1-13,20H,14-19H2;2,5-6,9-11,18,21H,3-4,7-8,12-17H2,1H3/b13-11+;
InChIKeyHWRITNGGDIJWHK-BNSHTTSQSA-N
XLogP10.64
TPSA162.32 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds16
Heavy Atoms83
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001152.16
LogP ≤ 510.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 1-[2-[cyclopentyl(methyl)amino]-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]ethanone;2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-[(E)-2-phenylethenyl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone with MolForge

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Launch Full Analysis

Related Compounds

2-[6-[4-[2-(2-Fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(3-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone
CID 58428459
2-[6-[4-[2-(2,6-Difluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone
CID 58428461
Cyclopentyl 4-[5-[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazine-1-carboxylate
CID 58428462
2-[6-[4-[2-(2-Fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-[4-(3-methylphenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone
CID 58428463
1-[2-[4-(4-Chlorophenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]ethanone
CID 58428469
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 58428474
2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-[(3S)-3-phenylpiperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone
CID 58428475
2-[6-[4-[2-(2-Fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-[3-(2-methoxyphenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone
CID 58428477
2-[6-[4-[2-(2,4-Difluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone
CID 58428482
2-Cyclopropyl-1-[4-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone
CID 58428486
1-[2-[(1-Benzylpyrrolidin-3-yl)amino]-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]ethanone
CID 58428489
2-[6-[4-[2-(2-Fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(4-phenylazepan-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone
CID 58428490

Frequently Asked Questions

What is the IUPAC name of 1-[2-[cyclopentyl(methyl)amino]-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]ethanone;2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-[(E)-2-phenylethenyl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone?
The IUPAC name of 1-[2-[cyclopentyl(methyl)amino]-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]ethanone;2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-[(E)-2-phenylethenyl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone (CID 123663195) is 1-[2-[cyclopentyl(methyl)amino]-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]ethanone;2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-[(E)-2-phenylethenyl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-[cyclopentyl(methyl)amino]-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]ethanone;2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-[(E)-2-phenylethenyl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone?
The canonical SMILES for 1-[2-[cyclopentyl(methyl)amino]-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]ethanone;2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-[(E)-2-phenylethenyl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone is CN(c1nc(C(F)(F)F)c(C(=O)Cc2ccc(N3CCN(C(=O)Cc4ccccc4F)CC3)nc2)o1)C1CCCC1.O=C(Cc1ccc(N2CCN(C(=O)Cc3ccccc3F)CC2)nc1)c1oc(/C=C/c2ccccc2)nc1C(F)(F)F.
What is the InChIKey of 1-[2-[cyclopentyl(methyl)amino]-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]ethanone;2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-[(E)-2-phenylethenyl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone?
The InChIKey is HWRITNGGDIJWHK-BNSHTTSQSA-N. The full InChI is InChI=1S/C31H26F4N4O3.C29H31F4N5O3/c32-24-9-5-4-8-23(24)19-28(41)39-16-14-38(15-17-39)26-12-10-22(20-36-26)18-25(40)29-30(31(33,34)35)37-27(42-29)13-11-21-6-2-1-3-7-21;1-36(21-7-3-4-8-21)28-35-27(29(31,32)33)26(41-28)23(39)16-19-10-11-24(34-18-19)37-12-14-38(15-13-37)25(40)17-20-6-2-5-9-22(20)30/h1-13,20H,14-19H2;2,5-6,9-11,18,21H,3-4,7-8,12-17H2,1H3/b13-11+;.
What are the key properties of 1-[2-[cyclopentyl(methyl)amino]-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]ethanone;2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-[(E)-2-phenylethenyl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone?
1-[2-[cyclopentyl(methyl)amino]-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]ethanone;2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-[(E)-2-phenylethenyl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone has a molecular weight of 1152.16 g/mol, XLogP of 10.64, 16 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyclopentyl(methyl)amino]-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]ethanone;2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-[(E)-2-phenylethenyl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone is sourced from PubChem (CID 123663195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).