2-[(1-benzylpiperidin-4-yl)methyl-methylamino]-1,3-oxazole-4-carboxylic acid

C18H23N3O3 — CID 134697080

IUPAC2-[(1-benzylpiperidin-4-yl)methyl-methylamino]-1,3-oxazole-4-carboxylic acid
SMILESCN(CC1CCN(Cc2ccccc2)CC1)c1nc(C(=O)O)co1
InChIInChI=1S/C18H23N3O3/c1-20(18-19-16(13-24-18)17(22)23)11-15-7-9-21(10-8-15)12-14-5-3-2-4-6-14/h2-6,13,15H,7-12H2,1H3,(H,22,23)
InChIKeyZECVLRGMLBWYBQ-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.72
Rot. Bonds6

About 2-[(1-benzylpiperidin-4-yl)methyl-methylamino]-1,3-oxazole-4-carboxylic acid

2-[(1-benzylpiperidin-4-yl)methyl-methylamino]-1,3-oxazole-4-carboxylic acid (PubChem CID 134697080) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-[(1-benzylpiperidin-4-yl)methyl-methylamino]-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[(1-benzylpiperidin-4-yl)methyl-methylamino]-1,3-oxazole-4-carboxylic acid
PubChem CID134697080
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name2-[(1-benzylpiperidin-4-yl)methyl-methylamino]-1,3-oxazole-4-carboxylic acid
SMILESCN(CC1CCN(Cc2ccccc2)CC1)c1nc(C(=O)O)co1
InChIInChI=1S/C18H23N3O3/c1-20(18-19-16(13-24-18)17(22)23)11-15-7-9-21(10-8-15)12-14-5-3-2-4-6-14/h2-6,13,15H,7-12H2,1H3,(H,22,23)
InChIKeyZECVLRGMLBWYBQ-UHFFFAOYSA-N
XLogP2.72
TPSA69.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1-tert-butyl-5-oxopyrrolidin-3-yl)methyl-methylamino]-1,3-oxazole-4-carboxylic acid
CID 134711514
(2R)-N-[(1-benzylpiperidin-4-yl)methyl]-2-cyclohexyl-2-hydroxy-N-methylacetamide
CID 70783649
(2S)-2-amino-N-[(1-benzylpiperidin-4-yl)methyl]-2-cyclohexyl-N-methylacetamide
CID 70738202
N-(1-benzylpiperidin-4-yl)-N-methylcarbamoyl chloride
CID 82379735
N-[(1-benzylpiperidin-4-yl)methyl]-N-methyl-2-(2-oxopyrimidin-1-yl)acetamide
CID 70754540
2-[4-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]phenyl]acetic acid
CID 105345835
1-[4-[2-[(4-benzylpiperidin-1-yl)methyl]-1,3-oxazole-4-carbonyl]piperazin-1-yl]ethanone
CID 46043550
[2-[(4-benzylpiperazin-1-yl)methyl]-1,3-oxazol-4-yl]-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]methanone
CID 56722454
2-[(4-benzylpiperazin-1-yl)methyl]-N-(cyclopropylmethyl)-1,3-oxazole-4-carboxamide
CID 42856210
(2R)-N-[(1-benzylpiperidin-4-yl)methyl]-N-methylmorpholine-2-carboxamide
CID 96579373
N-[(1-benzylpiperidin-4-yl)methyl]-1-ethyl-N-methyl-2-oxopyridine-4-carboxamide
CID 70716067
N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-methylbenzamide
CID 10019926

Frequently Asked Questions

What is the IUPAC name of 2-[(1-benzylpiperidin-4-yl)methyl-methylamino]-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-[(1-benzylpiperidin-4-yl)methyl-methylamino]-1,3-oxazole-4-carboxylic acid (CID 134697080) is 2-[(1-benzylpiperidin-4-yl)methyl-methylamino]-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-[(1-benzylpiperidin-4-yl)methyl-methylamino]-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-[(1-benzylpiperidin-4-yl)methyl-methylamino]-1,3-oxazole-4-carboxylic acid is CN(CC1CCN(Cc2ccccc2)CC1)c1nc(C(=O)O)co1.
What is the InChIKey of 2-[(1-benzylpiperidin-4-yl)methyl-methylamino]-1,3-oxazole-4-carboxylic acid?
The InChIKey is ZECVLRGMLBWYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-20(18-19-16(13-24-18)17(22)23)11-15-7-9-21(10-8-15)12-14-5-3-2-4-6-14/h2-6,13,15H,7-12H2,1H3,(H,22,23).
What are the key properties of 2-[(1-benzylpiperidin-4-yl)methyl-methylamino]-1,3-oxazole-4-carboxylic acid?
2-[(1-benzylpiperidin-4-yl)methyl-methylamino]-1,3-oxazole-4-carboxylic acid has a molecular weight of 329.40 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-benzylpiperidin-4-yl)methyl-methylamino]-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 134697080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).