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

C32H31F4N5O3 — CID 58428523

IUPAC2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-[methyl(2-phenylethyl)amino]-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone
SMILESCN(CCc1ccccc1)c1nc(C(F)(F)F)c(C(=O)Cc2ccc(N3CCN(C(=O)Cc4ccccc4F)CC3)nc2)o1
InChIInChI=1S/C32H31F4N5O3/c1-39(14-13-22-7-3-2-4-8-22)31-38-30(32(34,35)36)29(44-31)26(42)19-23-11-12-27(37-21-23)40-15-17-41(18-16-40)28(43)20-24-9-5-6-10-25(24)33/h2-12,21H,13-20H2,1H3
InChIKeyORGXCEOMKDFDNR-UHFFFAOYSA-N
MW609.62 g/mol
LogP5.22
Rot. Bonds10

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

2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-[methyl(2-phenylethyl)amino]-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone (PubChem CID 58428523) has the molecular formula C32H31F4N5O3 and a molecular weight of 609.62 g/mol. Its IUPAC name is 2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-[methyl(2-phenylethyl)amino]-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone.

Molecular Properties

Compound Name2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-[methyl(2-phenylethyl)amino]-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone
PubChem CID58428523
Molecular FormulaC32H31F4N5O3
Molecular Weight609.62 g/mol
Exact Mass609.24
IUPAC Name2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-[methyl(2-phenylethyl)amino]-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone
SMILESCN(CCc1ccccc1)c1nc(C(F)(F)F)c(C(=O)Cc2ccc(N3CCN(C(=O)Cc4ccccc4F)CC3)nc2)o1
InChIInChI=1S/C32H31F4N5O3/c1-39(14-13-22-7-3-2-4-8-22)31-38-30(32(34,35)36)29(44-31)26(42)19-23-11-12-27(37-21-23)40-15-17-41(18-16-40)28(43)20-24-9-5-6-10-25(24)33/h2-12,21H,13-20H2,1H3
InChIKeyORGXCEOMKDFDNR-UHFFFAOYSA-N
XLogP5.22
TPSA82.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.62
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

N-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-2-phenyl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 44528443
2-(4-fluorophenyl)-4-propyl-N-[(2R)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-1,3-oxazole-5-carboxamide
CID 16069006
N-[6-(4-phenylpiperidin-1-yl)pyridin-3-yl]-2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 67389970
N-[6-[4-(2-fluorobenzoyl)piperazin-1-yl]pyridin-3-yl]-2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 68235802
2-(4-Fluorophenyl)-4-propyl-oxazole-5-carboxylic acid [1-methyl-2-(4-pyridin-2-yl-piperazin-1-yl)-ethyl]-amide
CID 46231661
(2-Methyl-4-phenyl-1,3-oxazol-5-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 71511236
(2-Methyl-4-phenyl-1,3-oxazol-5-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 76327957
[5-(3-Methylphenyl)-1,3-oxazol-4-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 126470532
2-(2-fluorophenyl)-4-phenyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-1,3-oxazole-5-carboxamide
CID 16067539
N-(6-(4-benzyl-3-oxopiperazin-1-yl)pyridin-3-yl)-2-phenyl-4-(trifluoromethyl)oxazole-5-carboxamide
CID 46196328
N-[5-[4-[(2-methylphenyl)carbamoyl]phenyl]pyridin-2-yl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 46196329
2-(2,6-Difluorophenyl)-5-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-oxazole-4-carboxamide
CID 46205890

Frequently Asked Questions

What is the IUPAC name of 2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-[methyl(2-phenylethyl)amino]-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone?
The IUPAC name of 2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-[methyl(2-phenylethyl)amino]-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone (CID 58428523) is 2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-[methyl(2-phenylethyl)amino]-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone.
What is the SMILES notation for 2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-[methyl(2-phenylethyl)amino]-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone?
The canonical SMILES for 2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-[methyl(2-phenylethyl)amino]-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone is CN(CCc1ccccc1)c1nc(C(F)(F)F)c(C(=O)Cc2ccc(N3CCN(C(=O)Cc4ccccc4F)CC3)nc2)o1.
What is the InChIKey of 2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-[methyl(2-phenylethyl)amino]-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone?
The InChIKey is ORGXCEOMKDFDNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31F4N5O3/c1-39(14-13-22-7-3-2-4-8-22)31-38-30(32(34,35)36)29(44-31)26(42)19-23-11-12-27(37-21-23)40-15-17-41(18-16-40)28(43)20-24-9-5-6-10-25(24)33/h2-12,21H,13-20H2,1H3.
What are the key properties of 2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-[methyl(2-phenylethyl)amino]-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone?
2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-[methyl(2-phenylethyl)amino]-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone has a molecular weight of 609.62 g/mol, XLogP of 5.22, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-[methyl(2-phenylethyl)amino]-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone is sourced from PubChem (CID 58428523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).