5-[(2-methylpiperidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid

C11H16N2O3 — CID 61397908

IUPAC5-[(2-methylpiperidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
SMILESCC1CCCCN1Cc1cc(C(=O)O)no1
InChIInChI=1S/C11H16N2O3/c1-8-4-2-3-5-13(8)7-9-6-10(11(14)15)12-16-9/h6,8H,2-5,7H2,1H3,(H,14,15)
InChIKeyBVEHRHKQDKIULJ-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.75
Rot. Bonds3

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

5-[(2-methylpiperidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid (PubChem CID 61397908) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 5-[(2-methylpiperidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[(2-methylpiperidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
PubChem CID61397908
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name5-[(2-methylpiperidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
SMILESCC1CCCCN1Cc1cc(C(=O)O)no1
InChIInChI=1S/C11H16N2O3/c1-8-4-2-3-5-13(8)7-9-6-10(11(14)15)12-16-9/h6,8H,2-5,7H2,1H3,(H,14,15)
InChIKeyBVEHRHKQDKIULJ-UHFFFAOYSA-N
XLogP1.75
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2-ethylpiperidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
CID 61397898
5-[(2-propylpiperidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
CID 83056535
5-[(2,5-dimethylmorpholin-4-yl)methyl]-1,2-oxazole-3-carboxylic acid
CID 61397972
5-[[4-(dimethylamino)piperidin-1-yl]methyl]-1,2-oxazole-3-carboxylic acid
CID 61397827
5-[[(2R)-2-methylpiperidin-1-yl]methyl]furan-2-carboxylic acid
CID 42233591
5-[(2-methylpiperidin-1-yl)methyl]furan-2-carboxylic acid;hydrochloride
CID 171134030
N-[[5-[(2-methylpyrrolidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 62438242
5-[(3,4-dihydroxypyrrolidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
CID 106670144
3-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-2-yl]propanoic acid
CID 62216991
[(2S)-2-methylpiperidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone
CID 92719861
5-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-1,2-oxazole-3-carbohydrazide
CID 102728790
5-(cyclopentylmethoxymethyl)-1,2-oxazole-3-carboxylic acid
CID 66322137

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylpiperidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-[(2-methylpiperidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid (CID 61397908) is 5-[(2-methylpiperidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-[(2-methylpiperidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-[(2-methylpiperidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid is CC1CCCCN1Cc1cc(C(=O)O)no1.
What is the InChIKey of 5-[(2-methylpiperidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid?
The InChIKey is BVEHRHKQDKIULJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-8-4-2-3-5-13(8)7-9-6-10(11(14)15)12-16-9/h6,8H,2-5,7H2,1H3,(H,14,15).
What are the key properties of 5-[(2-methylpiperidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid?
5-[(2-methylpiperidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid has a molecular weight of 224.26 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylpiperidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 61397908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).