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

C21H26FN3O3 — CID 92568609

IUPAC3-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-N-[(3R)-oxan-3-yl]-1,2-oxazole-5-carboxamide
SMILESO=C(N[C@@H]1CCCOC1)c1cc(C2CCN(Cc3cccc(F)c3)CC2)no1
InChIInChI=1S/C21H26FN3O3/c22-17-4-1-3-15(11-17)13-25-8-6-16(7-9-25)19-12-20(28-24-19)21(26)23-18-5-2-10-27-14-18/h1,3-4,11-12,16,18H,2,5-10,13-14H2,(H,23,26)/t18-/m1/s1
InChIKeyRLJMBVFKGCJRIM-GOSISDBHSA-N
MW387.46 g/mol
LogP3.10
Rot. Bonds5

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

3-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-N-[(3R)-oxan-3-yl]-1,2-oxazole-5-carboxamide (PubChem CID 92568609) has the molecular formula C21H26FN3O3 and a molecular weight of 387.46 g/mol. Its IUPAC name is 3-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-N-[(3R)-oxan-3-yl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-N-[(3R)-oxan-3-yl]-1,2-oxazole-5-carboxamide
PubChem CID92568609
Molecular FormulaC21H26FN3O3
Molecular Weight387.46 g/mol
Exact Mass387.20
IUPAC Name3-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-N-[(3R)-oxan-3-yl]-1,2-oxazole-5-carboxamide
SMILESO=C(N[C@@H]1CCCOC1)c1cc(C2CCN(Cc3cccc(F)c3)CC2)no1
InChIInChI=1S/C21H26FN3O3/c22-17-4-1-3-15(11-17)13-25-8-6-16(7-9-25)19-12-20(28-24-19)21(26)23-18-5-2-10-27-14-18/h1,3-4,11-12,16,18H,2,5-10,13-14H2,(H,23,26)/t18-/m1/s1
InChIKeyRLJMBVFKGCJRIM-GOSISDBHSA-N
XLogP3.10
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(oxan-3-yl)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-1,2-oxazole-5-carboxamide
CID 110228833
3-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-N-[(3R)-oxan-3-yl]-1,2-oxazole-5-carboxamide
CID 92569564
3-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-N-[(3R)-oxan-3-yl]-1,2-oxazole-5-carboxamide
CID 92595796
N-[(4-fluorophenyl)methyl]-3-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-1,2-oxazole-5-carboxamide
CID 92568611
N-cyclopentyl-3-[1-[3-(3-fluorophenoxy)propanoyl]piperidin-4-yl]-1,2-oxazole-5-carboxamide
CID 92568898
N-cyclohexyl-3-[(3R)-1-[(3-methylphenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 124999270
N-cyclohexyl-3-[(3R)-1-[(3-methylsulfanylphenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 124961712
3-[(3R)-1-benzylpiperidin-3-yl]-N-cyclohexyl-1,2-oxazole-5-carboxamide
CID 92574817
N-[(3-fluorophenyl)methyl]-3-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 110229075
3-[(3S)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-N-[(3-fluorophenyl)methyl]-1,2-oxazole-5-carboxamide
CID 92568673
1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(oxan-3-yl)urea
CID 138998311
N-cyclopropyl-3-[1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 110228950

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-N-[(3R)-oxan-3-yl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-N-[(3R)-oxan-3-yl]-1,2-oxazole-5-carboxamide (CID 92568609) is 3-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-N-[(3R)-oxan-3-yl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-N-[(3R)-oxan-3-yl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-N-[(3R)-oxan-3-yl]-1,2-oxazole-5-carboxamide is O=C(N[C@@H]1CCCOC1)c1cc(C2CCN(Cc3cccc(F)c3)CC2)no1.
What is the InChIKey of 3-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-N-[(3R)-oxan-3-yl]-1,2-oxazole-5-carboxamide?
The InChIKey is RLJMBVFKGCJRIM-GOSISDBHSA-N. The full InChI is InChI=1S/C21H26FN3O3/c22-17-4-1-3-15(11-17)13-25-8-6-16(7-9-25)19-12-20(28-24-19)21(26)23-18-5-2-10-27-14-18/h1,3-4,11-12,16,18H,2,5-10,13-14H2,(H,23,26)/t18-/m1/s1.
What are the key properties of 3-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-N-[(3R)-oxan-3-yl]-1,2-oxazole-5-carboxamide?
3-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-N-[(3R)-oxan-3-yl]-1,2-oxazole-5-carboxamide has a molecular weight of 387.46 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-N-[(3R)-oxan-3-yl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 92568609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).