N-[(4-fluorophenyl)methyl]-3-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-1,2-oxazole-5-carboxamide

C23H23F2N3O2 — CID 92572794

IUPACN-[(4-fluorophenyl)methyl]-3-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-1,2-oxazole-5-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1cc(C2CCN(Cc3ccccc3F)CC2)no1
InChIInChI=1S/C23H23F2N3O2/c24-19-7-5-16(6-8-19)14-26-23(29)22-13-21(27-30-22)17-9-11-28(12-10-17)15-18-3-1-2-4-20(18)25/h1-8,13,17H,9-12,14-15H2,(H,26,29)
InChIKeyGEQNTNKKTGRDJI-UHFFFAOYSA-N
MW411.45 g/mol
LogP4.26
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-3-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-1,2-oxazole-5-carboxamide

N-[(4-fluorophenyl)methyl]-3-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-1,2-oxazole-5-carboxamide (PubChem CID 92572794) has the molecular formula C23H23F2N3O2 and a molecular weight of 411.45 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-1,2-oxazole-5-carboxamide
PubChem CID92572794
Molecular FormulaC23H23F2N3O2
Molecular Weight411.45 g/mol
Exact Mass411.18
IUPAC NameN-[(4-fluorophenyl)methyl]-3-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-1,2-oxazole-5-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1cc(C2CCN(Cc3ccccc3F)CC2)no1
InChIInChI=1S/C23H23F2N3O2/c24-19-7-5-16(6-8-19)14-26-23(29)22-13-21(27-30-22)17-9-11-28(12-10-17)15-18-3-1-2-4-20(18)25/h1-8,13,17H,9-12,14-15H2,(H,26,29)
InChIKeyGEQNTNKKTGRDJI-UHFFFAOYSA-N
XLogP4.26
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.45
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(4-fluorophenyl)methyl]-3-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-1,2-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

Related Compounds

N-[(4-fluorophenyl)methyl]-3-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-1,2-oxazole-5-carboxamide
CID 92568611
3-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]-N-(thiophen-2-ylmethyl)-1,2-oxazole-5-carboxamide
CID 92568018
3-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)-1,2-oxazole-5-carboxamide
CID 92577470
N-[(3-fluorophenyl)methyl]-3-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 110229075
N-[(3-fluorophenyl)methyl]-3-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 110229070
3-[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-N-(pyridin-4-ylmethyl)-1,2-oxazole-5-carboxamide
CID 92601835
3-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-N-(pyridin-4-ylmethyl)-1,2-oxazole-5-carboxamide
CID 110229053
1-[(2-fluorophenyl)methyl]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide
CID 43917779
3-[(3S)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-N-[(3-fluorophenyl)methyl]-1,2-oxazole-5-carboxamide
CID 92568673
3-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-N-[(3-methoxyphenyl)methyl]-1,2-oxazole-5-carboxamide
CID 110229030
3-[(3S)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-N-(pyridin-4-ylmethyl)-1,2-oxazole-5-carboxamide
CID 92568136
1-[(4-chloro-2-fluorophenyl)methyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 99827159

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-1,2-oxazole-5-carboxamide (CID 92572794) is N-[(4-fluorophenyl)methyl]-3-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-1,2-oxazole-5-carboxamide is O=C(NCc1ccc(F)cc1)c1cc(C2CCN(Cc3ccccc3F)CC2)no1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-1,2-oxazole-5-carboxamide?
The InChIKey is GEQNTNKKTGRDJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2N3O2/c24-19-7-5-16(6-8-19)14-26-23(29)22-13-21(27-30-22)17-9-11-28(12-10-17)15-18-3-1-2-4-20(18)25/h1-8,13,17H,9-12,14-15H2,(H,26,29).
What are the key properties of N-[(4-fluorophenyl)methyl]-3-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-1,2-oxazole-5-carboxamide?
N-[(4-fluorophenyl)methyl]-3-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-1,2-oxazole-5-carboxamide has a molecular weight of 411.45 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 92572794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).