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

C29H26F3N5O4 — CID 46212343

IUPACN-[6-[4-(2-hydroxy-3-phenylpropanoyl)piperazin-1-yl]-3-pyridinyl]-2-phenyl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
SMILESO=C(Nc1ccc(N2CCN(C(=O)C(O)Cc3ccccc3)CC2)nc1)c1oc(-c2ccccc2)nc1C(F)(F)F
InChIInChI=1S/C29H26F3N5O4/c30-29(31,32)25-24(41-27(35-25)20-9-5-2-6-10-20)26(39)34-21-11-12-23(33-18-21)36-13-15-37(16-14-36)28(40)22(38)17-19-7-3-1-4-8-19/h1-12,18,22,38H,13-17H2,(H,34,39)
InChIKeyWUQHOMOSWMNYRE-UHFFFAOYSA-N
MW565.55 g/mol
LogP4.26
Rot. Bonds7

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

N-[6-[4-(2-hydroxy-3-phenylpropanoyl)piperazin-1-yl]-3-pyridinyl]-2-phenyl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide (PubChem CID 46212343) has the molecular formula C29H26F3N5O4 and a molecular weight of 565.55 g/mol. Its IUPAC name is N-[6-[4-(2-hydroxy-3-phenylpropanoyl)piperazin-1-yl]-3-pyridinyl]-2-phenyl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[6-[4-(2-hydroxy-3-phenylpropanoyl)piperazin-1-yl]-3-pyridinyl]-2-phenyl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
PubChem CID46212343
Molecular FormulaC29H26F3N5O4
Molecular Weight565.55 g/mol
Exact Mass565.19
IUPAC NameN-[6-[4-(2-hydroxy-3-phenylpropanoyl)piperazin-1-yl]-3-pyridinyl]-2-phenyl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
SMILESO=C(Nc1ccc(N2CCN(C(=O)C(O)Cc3ccccc3)CC2)nc1)c1oc(-c2ccccc2)nc1C(F)(F)F
InChIInChI=1S/C29H26F3N5O4/c30-29(31,32)25-24(41-27(35-25)20-9-5-2-6-10-20)26(39)34-21-11-12-23(33-18-21)36-13-15-37(16-14-36)28(40)22(38)17-19-7-3-1-4-8-19/h1-12,18,22,38H,13-17H2,(H,34,39)
InChIKeyWUQHOMOSWMNYRE-UHFFFAOYSA-N
XLogP4.26
TPSA111.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500565.55
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(2-hydroxy-3-phenylpropanoyl)piperazin-1-yl]-3-pyridinyl]-2-phenyl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[6-[4-(2-hydroxy-3-phenylpropanoyl)piperazin-1-yl]-3-pyridinyl]-2-phenyl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide (CID 46212343) is N-[6-[4-(2-hydroxy-3-phenylpropanoyl)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-3-phenylpropanoyl)piperazin-1-yl]-3-pyridinyl]-2-phenyl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[6-[4-(2-hydroxy-3-phenylpropanoyl)piperazin-1-yl]-3-pyridinyl]-2-phenyl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide is O=C(Nc1ccc(N2CCN(C(=O)C(O)Cc3ccccc3)CC2)nc1)c1oc(-c2ccccc2)nc1C(F)(F)F.
What is the InChIKey of N-[6-[4-(2-hydroxy-3-phenylpropanoyl)piperazin-1-yl]-3-pyridinyl]-2-phenyl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
The InChIKey is WUQHOMOSWMNYRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26F3N5O4/c30-29(31,32)25-24(41-27(35-25)20-9-5-2-6-10-20)26(39)34-21-11-12-23(33-18-21)36-13-15-37(16-14-36)28(40)22(38)17-19-7-3-1-4-8-19/h1-12,18,22,38H,13-17H2,(H,34,39).
What are the key properties of N-[6-[4-(2-hydroxy-3-phenylpropanoyl)piperazin-1-yl]-3-pyridinyl]-2-phenyl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
N-[6-[4-(2-hydroxy-3-phenylpropanoyl)piperazin-1-yl]-3-pyridinyl]-2-phenyl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide has a molecular weight of 565.55 g/mol, XLogP of 4.26, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-(2-hydroxy-3-phenylpropanoyl)piperazin-1-yl]-3-pyridinyl]-2-phenyl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 46212343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).