4-methyl-N-[1-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1,3-oxazole-5-carboxamide

C23H23F3N4O2 — CID 56676116

IUPAC4-methyl-N-[1-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)NC1CCN(C(c2ccc(C(F)(F)F)cc2)c2cccnc2)CC1
InChIInChI=1S/C23H23F3N4O2/c1-15-21(32-14-28-15)22(31)29-19-8-11-30(12-9-19)20(17-3-2-10-27-13-17)16-4-6-18(7-5-16)23(24,25)26/h2-7,10,13-14,19-20H,8-9,11-12H2,1H3,(H,29,31)
InChIKeyZPQKXTJLYNRLJM-UHFFFAOYSA-N
MW444.46 g/mol
LogP4.38
Rot. Bonds5

About 4-methyl-N-[1-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1,3-oxazole-5-carboxamide

4-methyl-N-[1-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1,3-oxazole-5-carboxamide (PubChem CID 56676116) has the molecular formula C23H23F3N4O2 and a molecular weight of 444.46 g/mol. Its IUPAC name is 4-methyl-N-[1-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[1-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1,3-oxazole-5-carboxamide
PubChem CID56676116
Molecular FormulaC23H23F3N4O2
Molecular Weight444.46 g/mol
Exact Mass444.18
IUPAC Name4-methyl-N-[1-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)NC1CCN(C(c2ccc(C(F)(F)F)cc2)c2cccnc2)CC1
InChIInChI=1S/C23H23F3N4O2/c1-15-21(32-14-28-15)22(31)29-19-8-11-30(12-9-19)20(17-3-2-10-27-13-17)16-4-6-18(7-5-16)23(24,25)26/h2-7,10,13-14,19-20H,8-9,11-12H2,1H3,(H,29,31)
InChIKeyZPQKXTJLYNRLJM-UHFFFAOYSA-N
XLogP4.38
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.46
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-methyl-N-[1-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1,3-oxazole-5-carboxamide with MolForge

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Related Compounds

N-(3'-methyl-3-biphenylyl)-1-[(4-methyl-1,3-oxazol-5-yl)carbonyl]-3-piperidinecarboxamide
CID 24817772
N-[6-(4-phenylpiperidin-1-yl)pyridin-3-yl]-2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 67389970
ALP-POS-ced8ea4d-45
CID 156906617
ALP-POS-305f6ec3-19
CID 156906759
1-{1-[(4-Methyl-1,3-oxazol-5-yl)carbonyl]-3-piperidinyl}-4-(2-methylphenyl)piperazine
CID 24791785
2-[(4-methyl-1,3-oxazol-5-yl)carbonyl]-1-(6-methyl-2-pyridinyl)-2,3,4,9-tetrahydro-1H-beta-carboline
CID 16192325
N-(4'-fluoro-3-biphenylyl)-1-[(4-methyl-1,3-oxazol-5-yl)carbonyl]-3-piperidinecarboxamide
CID 24790772
1-{1-[(4-Methyl-1,3-oxazol-5-yl)carbonyl]-3-piperidinyl}-4-[3-(trifluoromethyl)phenyl]piperazine
CID 24817537
(4-Methyl-1,3-oxazol-5-yl)-[4-[[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]amino]piperidin-1-yl]methanone
CID 56658803
N-[1-[(4-cyanophenyl)-pyridin-3-ylmethyl]piperidin-4-yl]-4-methyl-1,3-oxazole-5-carboxamide
CID 56682633
(2-Methyl-1,3-oxazol-4-yl)-[4-[[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]amino]piperidin-1-yl]methanone
CID 56682639
2-methyl-N-[1-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1,3-oxazole-4-carboxamide
CID 56682748

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[1-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1,3-oxazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[1-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1,3-oxazole-5-carboxamide (CID 56676116) is 4-methyl-N-[1-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[1-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1,3-oxazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[1-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1,3-oxazole-5-carboxamide is Cc1ncoc1C(=O)NC1CCN(C(c2ccc(C(F)(F)F)cc2)c2cccnc2)CC1.
What is the InChIKey of 4-methyl-N-[1-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1,3-oxazole-5-carboxamide?
The InChIKey is ZPQKXTJLYNRLJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N4O2/c1-15-21(32-14-28-15)22(31)29-19-8-11-30(12-9-19)20(17-3-2-10-27-13-17)16-4-6-18(7-5-16)23(24,25)26/h2-7,10,13-14,19-20H,8-9,11-12H2,1H3,(H,29,31).
What are the key properties of 4-methyl-N-[1-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1,3-oxazole-5-carboxamide?
4-methyl-N-[1-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1,3-oxazole-5-carboxamide has a molecular weight of 444.46 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[1-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 56676116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).