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

C23H23F3N4O2 — CID 56682748

IUPAC2-methyl-N-[1-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1,3-oxazole-4-carboxamide
SMILESCc1nc(C(=O)NC2CCN(C(c3ccc(C(F)(F)F)cc3)c3cccnc3)CC2)co1
InChIInChI=1S/C23H23F3N4O2/c1-15-28-20(14-32-15)22(31)29-19-8-11-30(12-9-19)21(17-3-2-10-27-13-17)16-4-6-18(7-5-16)23(24,25)26/h2-7,10,13-14,19,21H,8-9,11-12H2,1H3,(H,29,31)
InChIKeySQCZCFGNKKSCEU-UHFFFAOYSA-N
MW444.46 g/mol
LogP4.38
Rot. Bonds5

About 2-methyl-N-[1-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1,3-oxazole-4-carboxamide

2-methyl-N-[1-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1,3-oxazole-4-carboxamide (PubChem CID 56682748) has the molecular formula C23H23F3N4O2 and a molecular weight of 444.46 g/mol. Its IUPAC name is 2-methyl-N-[1-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[1-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1,3-oxazole-4-carboxamide
PubChem CID56682748
Molecular FormulaC23H23F3N4O2
Molecular Weight444.46 g/mol
Exact Mass444.18
IUPAC Name2-methyl-N-[1-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1,3-oxazole-4-carboxamide
SMILESCc1nc(C(=O)NC2CCN(C(c3ccc(C(F)(F)F)cc3)c3cccnc3)CC2)co1
InChIInChI=1S/C23H23F3N4O2/c1-15-28-20(14-32-15)22(31)29-19-8-11-30(12-9-19)21(17-3-2-10-27-13-17)16-4-6-18(7-5-16)23(24,25)26/h2-7,10,13-14,19,21H,8-9,11-12H2,1H3,(H,29,31)
InChIKeySQCZCFGNKKSCEU-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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-methyl-N-[1-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1,3-oxazole-4-carboxamide (CID 56682748) is 2-methyl-N-[1-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-methyl-N-[1-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-methyl-N-[1-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1,3-oxazole-4-carboxamide is Cc1nc(C(=O)NC2CCN(C(c3ccc(C(F)(F)F)cc3)c3cccnc3)CC2)co1.
What is the InChIKey of 2-methyl-N-[1-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1,3-oxazole-4-carboxamide?
The InChIKey is SQCZCFGNKKSCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N4O2/c1-15-28-20(14-32-15)22(31)29-19-8-11-30(12-9-19)21(17-3-2-10-27-13-17)16-4-6-18(7-5-16)23(24,25)26/h2-7,10,13-14,19,21H,8-9,11-12H2,1H3,(H,29,31).
What are the key properties of 2-methyl-N-[1-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1,3-oxazole-4-carboxamide?
2-methyl-N-[1-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1,3-oxazole-4-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 2-methyl-N-[1-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 56682748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).