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

C33H34F3N5O3 — CID 67390505

IUPACN-[6-(4-phenylmethoxypiperidin-1-yl)-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
SMILESO=C(Nc1ccc(N2CCC(OCc3ccccc3)CC2)nc1)c1oc(N2CCC(c3ccccc3)CC2)nc1C(F)(F)F
InChIInChI=1S/C33H34F3N5O3/c34-33(35,36)30-29(44-32(39-30)41-17-13-25(14-18-41)24-9-5-2-6-10-24)31(42)38-26-11-12-28(37-21-26)40-19-15-27(16-20-40)43-22-23-7-3-1-4-8-23/h1-12,21,25,27H,13-20,22H2,(H,38,42)
InChIKeyZVMCFWPRWNZWEH-UHFFFAOYSA-N
MW605.66 g/mol
LogP6.91
Rot. Bonds8

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

N-[6-(4-phenylmethoxypiperidin-1-yl)-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide (PubChem CID 67390505) has the molecular formula C33H34F3N5O3 and a molecular weight of 605.66 g/mol. Its IUPAC name is N-[6-(4-phenylmethoxypiperidin-1-yl)-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[6-(4-phenylmethoxypiperidin-1-yl)-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
PubChem CID67390505
Molecular FormulaC33H34F3N5O3
Molecular Weight605.66 g/mol
Exact Mass605.26
IUPAC NameN-[6-(4-phenylmethoxypiperidin-1-yl)-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
SMILESO=C(Nc1ccc(N2CCC(OCc3ccccc3)CC2)nc1)c1oc(N2CCC(c3ccccc3)CC2)nc1C(F)(F)F
InChIInChI=1S/C33H34F3N5O3/c34-33(35,36)30-29(44-32(39-30)41-17-13-25(14-18-41)24-9-5-2-6-10-24)31(42)38-26-11-12-28(37-21-26)40-19-15-27(16-20-40)43-22-23-7-3-1-4-8-23/h1-12,21,25,27H,13-20,22H2,(H,38,42)
InChIKeyZVMCFWPRWNZWEH-UHFFFAOYSA-N
XLogP6.91
TPSA83.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.66
LogP ≤ 56.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[6-(4-phenylmethoxypiperidin-1-yl)-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-phenylmethoxypiperidin-1-yl)-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[6-(4-phenylmethoxypiperidin-1-yl)-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide (CID 67390505) is N-[6-(4-phenylmethoxypiperidin-1-yl)-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[6-(4-phenylmethoxypiperidin-1-yl)-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[6-(4-phenylmethoxypiperidin-1-yl)-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide is O=C(Nc1ccc(N2CCC(OCc3ccccc3)CC2)nc1)c1oc(N2CCC(c3ccccc3)CC2)nc1C(F)(F)F.
What is the InChIKey of N-[6-(4-phenylmethoxypiperidin-1-yl)-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
The InChIKey is ZVMCFWPRWNZWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34F3N5O3/c34-33(35,36)30-29(44-32(39-30)41-17-13-25(14-18-41)24-9-5-2-6-10-24)31(42)38-26-11-12-28(37-21-26)40-19-15-27(16-20-40)43-22-23-7-3-1-4-8-23/h1-12,21,25,27H,13-20,22H2,(H,38,42).
What are the key properties of N-[6-(4-phenylmethoxypiperidin-1-yl)-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
N-[6-(4-phenylmethoxypiperidin-1-yl)-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide has a molecular weight of 605.66 g/mol, XLogP of 6.91, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-phenylmethoxypiperidin-1-yl)-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 67390505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).