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

C23H23F2N3O2 — CID 92568611

IUPACN-[(4-fluorophenyl)methyl]-3-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-1,2-oxazole-5-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1cc(C2CCN(Cc3cccc(F)c3)CC2)no1
InChIInChI=1S/C23H23F2N3O2/c24-19-6-4-16(5-7-19)14-26-23(29)22-13-21(27-30-22)18-8-10-28(11-9-18)15-17-2-1-3-20(25)12-17/h1-7,12-13,18H,8-11,14-15H2,(H,26,29)
InChIKeyOWBPLBRFFREULQ-UHFFFAOYSA-N
MW411.45 g/mol
LogP4.26
Rot. Bonds6

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

N-[(4-fluorophenyl)methyl]-3-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-1,2-oxazole-5-carboxamide (PubChem CID 92568611) has the molecular formula C23H23F2N3O2 and a molecular weight of 411.45 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-1,2-oxazole-5-carboxamide
PubChem CID92568611
Molecular FormulaC23H23F2N3O2
Molecular Weight411.45 g/mol
Exact Mass411.18
IUPAC NameN-[(4-fluorophenyl)methyl]-3-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-1,2-oxazole-5-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1cc(C2CCN(Cc3cccc(F)c3)CC2)no1
InChIInChI=1S/C23H23F2N3O2/c24-19-6-4-16(5-7-19)14-26-23(29)22-13-21(27-30-22)18-8-10-28(11-9-18)15-17-2-1-3-20(25)12-17/h1-7,12-13,18H,8-11,14-15H2,(H,26,29)
InChIKeyOWBPLBRFFREULQ-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

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Related Compounds

N-[(3-fluorophenyl)methyl]-3-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 110229075
N-[(4-fluorophenyl)methyl]-3-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-1,2-oxazole-5-carboxamide
CID 92572794
3-[(3S)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-N-[(3-fluorophenyl)methyl]-1,2-oxazole-5-carboxamide
CID 92568673
3-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-N-[(3R)-oxan-3-yl]-1,2-oxazole-5-carboxamide
CID 92568609
3-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)-1,2-oxazole-5-carboxamide
CID 92577470
3-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-N-[(3-methoxyphenyl)methyl]-1,2-oxazole-5-carboxamide
CID 110229030
N-[(3-fluorophenyl)methyl]-3-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 110229070
N-[(4-methoxyphenyl)methyl]-3-[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 92596071
3-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]-N-(thiophen-2-ylmethyl)-1,2-oxazole-5-carboxamide
CID 92568018
3-[(3S)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-N-(pyridin-4-ylmethyl)-1,2-oxazole-5-carboxamide
CID 92568136
[3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-1,2-oxazol-5-yl]-[(3R)-3-hydroxypiperidin-1-yl]methanone
CID 92570030
3-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-N-(thiophen-2-ylmethyl)-1,2-oxazole-5-carboxamide
CID 92569566

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-1,2-oxazole-5-carboxamide (CID 92568611) is N-[(4-fluorophenyl)methyl]-3-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-1,2-oxazole-5-carboxamide is O=C(NCc1ccc(F)cc1)c1cc(C2CCN(Cc3cccc(F)c3)CC2)no1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-1,2-oxazole-5-carboxamide?
The InChIKey is OWBPLBRFFREULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2N3O2/c24-19-6-4-16(5-7-19)14-26-23(29)22-13-21(27-30-22)18-8-10-28(11-9-18)15-17-2-1-3-20(25)12-17/h1-7,12-13,18H,8-11,14-15H2,(H,26,29).
What are the key properties of N-[(4-fluorophenyl)methyl]-3-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-1,2-oxazole-5-carboxamide?
N-[(4-fluorophenyl)methyl]-3-[1-[(3-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-[(3-fluorophenyl)methyl]piperidin-4-yl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 92568611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).