N-[6-(4-phenylpiperazin-1-yl)-3-pyridinyl]-2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide

C25H27F3N6O2 — CID 67390528

IUPACN-[6-(4-phenylpiperazin-1-yl)-3-pyridinyl]-2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
SMILESO=C(Nc1ccc(N2CCN(c3ccccc3)CC2)nc1)c1oc(N2CCCCC2)nc1C(F)(F)F
InChIInChI=1S/C25H27F3N6O2/c26-25(27,28)22-21(36-24(31-22)34-11-5-2-6-12-34)23(35)30-18-9-10-20(29-17-18)33-15-13-32(14-16-33)19-7-3-1-4-8-19/h1,3-4,7-10,17H,2,5-6,11-16H2,(H,30,35)
InChIKeyQJUZFYXIICWRHF-UHFFFAOYSA-N
MW500.53 g/mol
LogP4.66
Rot. Bonds5

About N-[6-(4-phenylpiperazin-1-yl)-3-pyridinyl]-2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide

N-[6-(4-phenylpiperazin-1-yl)-3-pyridinyl]-2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide (PubChem CID 67390528) has the molecular formula C25H27F3N6O2 and a molecular weight of 500.53 g/mol. Its IUPAC name is N-[6-(4-phenylpiperazin-1-yl)-3-pyridinyl]-2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[6-(4-phenylpiperazin-1-yl)-3-pyridinyl]-2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
PubChem CID67390528
Molecular FormulaC25H27F3N6O2
Molecular Weight500.53 g/mol
Exact Mass500.21
IUPAC NameN-[6-(4-phenylpiperazin-1-yl)-3-pyridinyl]-2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
SMILESO=C(Nc1ccc(N2CCN(c3ccccc3)CC2)nc1)c1oc(N2CCCCC2)nc1C(F)(F)F
InChIInChI=1S/C25H27F3N6O2/c26-25(27,28)22-21(36-24(31-22)34-11-5-2-6-12-34)23(35)30-18-9-10-20(29-17-18)33-15-13-32(14-16-33)19-7-3-1-4-8-19/h1,3-4,7-10,17H,2,5-6,11-16H2,(H,30,35)
InChIKeyQJUZFYXIICWRHF-UHFFFAOYSA-N
XLogP4.66
TPSA77.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.53
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-(4-phenylpiperazin-1-yl)-3-pyridinyl]-2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[6-(4-phenylpiperazin-1-yl)-3-pyridinyl]-2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide (CID 67390528) is N-[6-(4-phenylpiperazin-1-yl)-3-pyridinyl]-2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[6-(4-phenylpiperazin-1-yl)-3-pyridinyl]-2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[6-(4-phenylpiperazin-1-yl)-3-pyridinyl]-2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide is O=C(Nc1ccc(N2CCN(c3ccccc3)CC2)nc1)c1oc(N2CCCCC2)nc1C(F)(F)F.
What is the InChIKey of N-[6-(4-phenylpiperazin-1-yl)-3-pyridinyl]-2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
The InChIKey is QJUZFYXIICWRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F3N6O2/c26-25(27,28)22-21(36-24(31-22)34-11-5-2-6-12-34)23(35)30-18-9-10-20(29-17-18)33-15-13-32(14-16-33)19-7-3-1-4-8-19/h1,3-4,7-10,17H,2,5-6,11-16H2,(H,30,35).
What are the key properties of N-[6-(4-phenylpiperazin-1-yl)-3-pyridinyl]-2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
N-[6-(4-phenylpiperazin-1-yl)-3-pyridinyl]-2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide has a molecular weight of 500.53 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-phenylpiperazin-1-yl)-3-pyridinyl]-2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 67390528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).