N-[6-[4-[2-hydroxy-2-(4-hydroxyphenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-2-phenyl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide

C28H24F3N5O5 — CID 67409545

IUPACN-[6-[4-[2-hydroxy-2-(4-hydroxyphenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-2-phenyl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
SMILESO=C(Nc1ccc(N2CCN(C(=O)C(O)c3ccc(O)cc3)CC2)nc1)c1oc(-c2ccccc2)nc1C(F)(F)F
InChIInChI=1S/C28H24F3N5O5/c29-28(30,31)24-23(41-26(34-24)18-4-2-1-3-5-18)25(39)33-19-8-11-21(32-16-19)35-12-14-36(15-13-35)27(40)22(38)17-6-9-20(37)10-7-17/h1-11,16,22,37-38H,12-15H2,(H,33,39)
InChIKeyIMISAXYJVKAPOF-UHFFFAOYSA-N
MW567.52 g/mol
LogP4.10
Rot. Bonds6

About N-[6-[4-[2-hydroxy-2-(4-hydroxyphenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-2-phenyl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide

N-[6-[4-[2-hydroxy-2-(4-hydroxyphenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-2-phenyl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide (PubChem CID 67409545) has the molecular formula C28H24F3N5O5 and a molecular weight of 567.52 g/mol. Its IUPAC name is N-[6-[4-[2-hydroxy-2-(4-hydroxyphenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-2-phenyl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[6-[4-[2-hydroxy-2-(4-hydroxyphenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-2-phenyl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
PubChem CID67409545
Molecular FormulaC28H24F3N5O5
Molecular Weight567.52 g/mol
Exact Mass567.17
IUPAC NameN-[6-[4-[2-hydroxy-2-(4-hydroxyphenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-2-phenyl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
SMILESO=C(Nc1ccc(N2CCN(C(=O)C(O)c3ccc(O)cc3)CC2)nc1)c1oc(-c2ccccc2)nc1C(F)(F)F
InChIInChI=1S/C28H24F3N5O5/c29-28(30,31)24-23(41-26(34-24)18-4-2-1-3-5-18)25(39)33-19-8-11-21(32-16-19)35-12-14-36(15-13-35)27(40)22(38)17-6-9-20(37)10-7-17/h1-11,16,22,37-38H,12-15H2,(H,33,39)
InChIKeyIMISAXYJVKAPOF-UHFFFAOYSA-N
XLogP4.10
TPSA132.03 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500567.52
LogP ≤ 54.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

2-phenyl-N-[6-[4-(3,3,3-trifluoro-2-hydroxypropanoyl)piperazin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 46212338
2-hydroxy-3-oxo-3-[4-[5-[[2-phenyl-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-2-pyridinyl]piperazin-1-yl]propanoic acid
CID 67408854
N-[6-[4-[(2R)-2-cyclohexyl-2-hydroxyacetyl]piperazin-1-yl]-3-pyridinyl]-2-phenyl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 46212342
N-[6-(4-benzyl-5-oxo-1,4-diazepan-1-yl)-3-pyridinyl]-2-phenyl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 46212337
2-phenyl-N-[6-[4-(2-phenylethyl)piperidin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 46212334
N-[6-[4-[2-(4-fluorophenyl)-2-hydroxyacetyl]piperazin-1-yl]-3-pyridinyl]-5-phenyl-3-(trifluoromethyl)-1H-pyrrole-2-carboxamide
CID 141269422
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
N-[6-[4-[(2R)-2-cyclohexyl-2-hydroxyacetyl]piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 67391114
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
N-[6-[4-(phenylcarbamoyl)piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 67293581
N-(6-morpholin-4-yl-3-pyridinyl)-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
CID 16757011
propan-2-yl 4-[5-[[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-2-pyridinyl]piperazine-1-carboxylate
CID 67387021

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-[2-hydroxy-2-(4-hydroxyphenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-2-phenyl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[6-[4-[2-hydroxy-2-(4-hydroxyphenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-2-phenyl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide (CID 67409545) is N-[6-[4-[2-hydroxy-2-(4-hydroxyphenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-2-phenyl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[6-[4-[2-hydroxy-2-(4-hydroxyphenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-2-phenyl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[6-[4-[2-hydroxy-2-(4-hydroxyphenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-2-phenyl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide is O=C(Nc1ccc(N2CCN(C(=O)C(O)c3ccc(O)cc3)CC2)nc1)c1oc(-c2ccccc2)nc1C(F)(F)F.
What is the InChIKey of N-[6-[4-[2-hydroxy-2-(4-hydroxyphenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-2-phenyl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
The InChIKey is IMISAXYJVKAPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24F3N5O5/c29-28(30,31)24-23(41-26(34-24)18-4-2-1-3-5-18)25(39)33-19-8-11-21(32-16-19)35-12-14-36(15-13-35)27(40)22(38)17-6-9-20(37)10-7-17/h1-11,16,22,37-38H,12-15H2,(H,33,39).
What are the key properties of N-[6-[4-[2-hydroxy-2-(4-hydroxyphenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-2-phenyl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
N-[6-[4-[2-hydroxy-2-(4-hydroxyphenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-2-phenyl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide has a molecular weight of 567.52 g/mol, XLogP of 4.10, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-[2-hydroxy-2-(4-hydroxyphenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-2-phenyl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 67409545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).