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

C25H27N3O4 — CID 24817207

IUPAC5-[(3-acetylphenoxy)methyl]-N-(1-benzylpiperidin-4-yl)-1,2-oxazole-3-carboxamide
SMILESCC(=O)c1cccc(OCc2cc(C(=O)NC3CCN(Cc4ccccc4)CC3)no2)c1
InChIInChI=1S/C25H27N3O4/c1-18(29)20-8-5-9-22(14-20)31-17-23-15-24(27-32-23)25(30)26-21-10-12-28(13-11-21)16-19-6-3-2-4-7-19/h2-9,14-15,21H,10-13,16-17H2,1H3,(H,26,30)
InChIKeyAOMTWWHFNXCLBZ-UHFFFAOYSA-N
MW433.51 g/mol
LogP3.85
Rot. Bonds8

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

5-[(3-acetylphenoxy)methyl]-N-(1-benzylpiperidin-4-yl)-1,2-oxazole-3-carboxamide (PubChem CID 24817207) has the molecular formula C25H27N3O4 and a molecular weight of 433.51 g/mol. Its IUPAC name is 5-[(3-acetylphenoxy)methyl]-N-(1-benzylpiperidin-4-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[(3-acetylphenoxy)methyl]-N-(1-benzylpiperidin-4-yl)-1,2-oxazole-3-carboxamide
PubChem CID24817207
Molecular FormulaC25H27N3O4
Molecular Weight433.51 g/mol
Exact Mass433.20
IUPAC Name5-[(3-acetylphenoxy)methyl]-N-(1-benzylpiperidin-4-yl)-1,2-oxazole-3-carboxamide
SMILESCC(=O)c1cccc(OCc2cc(C(=O)NC3CCN(Cc4ccccc4)CC3)no2)c1
InChIInChI=1S/C25H27N3O4/c1-18(29)20-8-5-9-22(14-20)31-17-23-15-24(27-32-23)25(30)26-21-10-12-28(13-11-21)16-19-6-3-2-4-7-19/h2-9,14-15,21H,10-13,16-17H2,1H3,(H,26,30)
InChIKeyAOMTWWHFNXCLBZ-UHFFFAOYSA-N
XLogP3.85
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-benzylpiperidin-4-yl)-3-butoxybenzamide
CID 17176524
2-(3-acetylphenyl)-N-(1-benzylpiperidin-4-yl)pyridine-4-carboxamide
CID 117092468
5-[(4-benzylpiperidin-1-yl)methyl]-N-cyclopropyl-1,2-oxazole-3-carboxamide
CID 25448460
N-(1-benzylpiperidin-4-yl)-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide
CID 24541999
5-[(3-acetylphenoxy)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2-oxazole-3-carboxamide
CID 45250276
N-(1-benzylpiperidin-4-yl)-4-phenylmethoxybenzamide
CID 17176526
N-(1-benzylpiperidin-4-yl)-6-methylpyridine-2-carboxamide
CID 31926879
5-[(3-acetylphenoxy)methyl]-N-(3-propan-2-yloxypropyl)-1,2-oxazole-3-carboxamide
CID 25366237
methyl 3-[5-[(1-benzylpiperidin-4-yl)carbamoyl]-1,3-thiazol-2-yl]benzoate
CID 142738884
N-[(3S)-1-benzylpyrrolidin-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 95145261
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-methoxybenzamide
CID 8589988
N-(1-benzylpiperidin-4-yl)-3-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 110089253

Frequently Asked Questions

What is the IUPAC name of 5-[(3-acetylphenoxy)methyl]-N-(1-benzylpiperidin-4-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[(3-acetylphenoxy)methyl]-N-(1-benzylpiperidin-4-yl)-1,2-oxazole-3-carboxamide (CID 24817207) is 5-[(3-acetylphenoxy)methyl]-N-(1-benzylpiperidin-4-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[(3-acetylphenoxy)methyl]-N-(1-benzylpiperidin-4-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[(3-acetylphenoxy)methyl]-N-(1-benzylpiperidin-4-yl)-1,2-oxazole-3-carboxamide is CC(=O)c1cccc(OCc2cc(C(=O)NC3CCN(Cc4ccccc4)CC3)no2)c1.
What is the InChIKey of 5-[(3-acetylphenoxy)methyl]-N-(1-benzylpiperidin-4-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is AOMTWWHFNXCLBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4/c1-18(29)20-8-5-9-22(14-20)31-17-23-15-24(27-32-23)25(30)26-21-10-12-28(13-11-21)16-19-6-3-2-4-7-19/h2-9,14-15,21H,10-13,16-17H2,1H3,(H,26,30).
What are the key properties of 5-[(3-acetylphenoxy)methyl]-N-(1-benzylpiperidin-4-yl)-1,2-oxazole-3-carboxamide?
5-[(3-acetylphenoxy)methyl]-N-(1-benzylpiperidin-4-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 433.51 g/mol, XLogP of 3.85, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-acetylphenoxy)methyl]-N-(1-benzylpiperidin-4-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 24817207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).