5-[[4-(dimethylamino)piperidin-1-yl]methyl]-1,2-oxazole-3-carboxylic acid

C12H19N3O3 — CID 61397827

IUPAC5-[[4-(dimethylamino)piperidin-1-yl]methyl]-1,2-oxazole-3-carboxylic acid
SMILESCN(C)C1CCN(Cc2cc(C(=O)O)no2)CC1
InChIInChI=1S/C12H19N3O3/c1-14(2)9-3-5-15(6-4-9)8-10-7-11(12(16)17)13-18-10/h7,9H,3-6,8H2,1-2H3,(H,16,17)
InChIKeyUWMICDAFNQXXMJ-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.90
Rot. Bonds4

About 5-[[4-(dimethylamino)piperidin-1-yl]methyl]-1,2-oxazole-3-carboxylic acid

5-[[4-(dimethylamino)piperidin-1-yl]methyl]-1,2-oxazole-3-carboxylic acid (PubChem CID 61397827) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 5-[[4-(dimethylamino)piperidin-1-yl]methyl]-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[[4-(dimethylamino)piperidin-1-yl]methyl]-1,2-oxazole-3-carboxylic acid
PubChem CID61397827
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name5-[[4-(dimethylamino)piperidin-1-yl]methyl]-1,2-oxazole-3-carboxylic acid
SMILESCN(C)C1CCN(Cc2cc(C(=O)O)no2)CC1
InChIInChI=1S/C12H19N3O3/c1-14(2)9-3-5-15(6-4-9)8-10-7-11(12(16)17)13-18-10/h7,9H,3-6,8H2,1-2H3,(H,16,17)
InChIKeyUWMICDAFNQXXMJ-UHFFFAOYSA-N
XLogP0.90
TPSA69.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(3,4-dihydroxypyrrolidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
CID 106670144
5-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]-1,2-oxazole-3-carboxylic acid
CID 82691708
5-[(4-oxopiperidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
CID 61397903
5-(piperazin-1-ylmethyl)-1,2-oxazole-3-carboxylic acid
CID 61397942
5-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-1,2-oxazole-3-carboxylic acid
CID 55117077
5-[(4-methyl-1,4-diazepan-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
CID 61397847
5-[(4-hydroxypiperidin-1-yl)methyl]-N-methyl-N-propan-2-yl-1,2-oxazole-3-carboxamide
CID 56746235
5-[[4-(dimethylamino)piperidin-1-yl]methyl]-2-methylfuran-3-carboxylic acid
CID 43586208
5-[(2-methylpiperidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
CID 61397908
5-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
CID 63170748
N-cyclopropyl-5-[(4-hydroxypiperidin-1-yl)methyl]-N-propyl-1,2-oxazole-3-carboxamide
CID 56754087
5-(3-azaspiro[5.5]undecan-3-ylmethyl)-1,2-oxazole-3-carboxylic acid
CID 62937964

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(dimethylamino)piperidin-1-yl]methyl]-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-[[4-(dimethylamino)piperidin-1-yl]methyl]-1,2-oxazole-3-carboxylic acid (CID 61397827) is 5-[[4-(dimethylamino)piperidin-1-yl]methyl]-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-[[4-(dimethylamino)piperidin-1-yl]methyl]-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-[[4-(dimethylamino)piperidin-1-yl]methyl]-1,2-oxazole-3-carboxylic acid is CN(C)C1CCN(Cc2cc(C(=O)O)no2)CC1.
What is the InChIKey of 5-[[4-(dimethylamino)piperidin-1-yl]methyl]-1,2-oxazole-3-carboxylic acid?
The InChIKey is UWMICDAFNQXXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-14(2)9-3-5-15(6-4-9)8-10-7-11(12(16)17)13-18-10/h7,9H,3-6,8H2,1-2H3,(H,16,17).
What are the key properties of 5-[[4-(dimethylamino)piperidin-1-yl]methyl]-1,2-oxazole-3-carboxylic acid?
5-[[4-(dimethylamino)piperidin-1-yl]methyl]-1,2-oxazole-3-carboxylic acid has a molecular weight of 253.30 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(dimethylamino)piperidin-1-yl]methyl]-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 61397827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).