2-(4-chlorophenyl)-2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone

C29H24ClF3N4O4 — CID 58431667

IUPAC2-(4-chlorophenyl)-2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone
SMILESO=C(Cc1ccc(N2CCN(C(=O)C(O)c3ccc(Cl)cc3)CC2)nc1)c1oc(-c2ccccc2)nc1C(F)(F)F
InChIInChI=1S/C29H24ClF3N4O4/c30-21-9-7-19(8-10-21)24(39)28(40)37-14-12-36(13-15-37)23-11-6-18(17-34-23)16-22(38)25-26(29(31,32)33)35-27(41-25)20-4-2-1-3-5-20/h1-11,17,24,39H,12-16H2
InChIKeyACFHAFHKNJPKRY-UHFFFAOYSA-N
MW584.98 g/mol
LogP5.22
Rot. Bonds7

About 2-(4-chlorophenyl)-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-(4-chlorophenyl)-2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone (PubChem CID 58431667) has the molecular formula C29H24ClF3N4O4 and a molecular weight of 584.98 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone
PubChem CID58431667
Molecular FormulaC29H24ClF3N4O4
Molecular Weight584.98 g/mol
Exact Mass584.14
IUPAC Name2-(4-chlorophenyl)-2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone
SMILESO=C(Cc1ccc(N2CCN(C(=O)C(O)c3ccc(Cl)cc3)CC2)nc1)c1oc(-c2ccccc2)nc1C(F)(F)F
InChIInChI=1S/C29H24ClF3N4O4/c30-21-9-7-19(8-10-21)24(39)28(40)37-14-12-36(13-15-37)23-11-6-18(17-34-23)16-22(38)25-26(29(31,32)33)35-27(41-25)20-4-2-1-3-5-20/h1-11,17,24,39H,12-16H2
InChIKeyACFHAFHKNJPKRY-UHFFFAOYSA-N
XLogP5.22
TPSA99.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.98
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(4-chlorophenyl)-2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-(4-chlorophenyl)-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 58431667) is 2-(4-chlorophenyl)-2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(4-chlorophenyl)-2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-(4-chlorophenyl)-2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone is O=C(Cc1ccc(N2CCN(C(=O)C(O)c3ccc(Cl)cc3)CC2)nc1)c1oc(-c2ccccc2)nc1C(F)(F)F.
What is the InChIKey of 2-(4-chlorophenyl)-2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone?
The InChIKey is ACFHAFHKNJPKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24ClF3N4O4/c30-21-9-7-19(8-10-21)24(39)28(40)37-14-12-36(13-15-37)23-11-6-18(17-34-23)16-22(38)25-26(29(31,32)33)35-27(41-25)20-4-2-1-3-5-20/h1-11,17,24,39H,12-16H2.
What are the key properties of 2-(4-chlorophenyl)-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-(4-chlorophenyl)-2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone has a molecular weight of 584.98 g/mol, XLogP of 5.22, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 58431667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).