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

C10H12N2O4 — CID 61397903

IUPAC5-[(4-oxopiperidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
SMILESO=C1CCN(Cc2cc(C(=O)O)no2)CC1
InChIInChI=1S/C10H12N2O4/c13-7-1-3-12(4-2-7)6-8-5-9(10(14)15)11-16-8/h5H,1-4,6H2,(H,14,15)
InChIKeyXSGVBQUDLOKICP-UHFFFAOYSA-N
MW224.22 g/mol
LogP0.54
Rot. Bonds3

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

5-[(4-oxopiperidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid (PubChem CID 61397903) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is 5-[(4-oxopiperidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[(4-oxopiperidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
PubChem CID61397903
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Name5-[(4-oxopiperidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
SMILESO=C1CCN(Cc2cc(C(=O)O)no2)CC1
InChIInChI=1S/C10H12N2O4/c13-7-1-3-12(4-2-7)6-8-5-9(10(14)15)11-16-8/h5H,1-4,6H2,(H,14,15)
InChIKeyXSGVBQUDLOKICP-UHFFFAOYSA-N
XLogP0.54
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(5-oxo-1,4-diazepan-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
CID 63003611
5-(piperazin-1-ylmethyl)-1,2-oxazole-3-carboxylic acid
CID 61397942
5-[(3,4-dihydroxypyrrolidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
CID 106670144
5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,2-oxazole-3-carboxylic acid
CID 61397824
5-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-1,2-oxazole-3-carboxylic acid
CID 55117077
5-(3-azaspiro[5.5]undecan-3-ylmethyl)-1,2-oxazole-3-carboxylic acid
CID 62937964
5-[(4-methyl-1,4-diazepan-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
CID 61397847
5-[[4-(dimethylamino)piperidin-1-yl]methyl]-1,2-oxazole-3-carboxylic acid
CID 61397827
5-[(3-oxopiperazin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
CID 61397934
5-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]-1,2-oxazole-3-carboxylic acid
CID 82691708
5-[(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)methyl]-1,2-oxazole-3-carboxylic acid
CID 79886767
5-[(2-oxo-1,3-thiazolidin-3-yl)methyl]-1,2-oxazole-3-carboxylic acid
CID 61397426

Frequently Asked Questions

What is the IUPAC name of 5-[(4-oxopiperidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-[(4-oxopiperidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid (CID 61397903) is 5-[(4-oxopiperidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-[(4-oxopiperidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-[(4-oxopiperidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid is O=C1CCN(Cc2cc(C(=O)O)no2)CC1.
What is the InChIKey of 5-[(4-oxopiperidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid?
The InChIKey is XSGVBQUDLOKICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c13-7-1-3-12(4-2-7)6-8-5-9(10(14)15)11-16-8/h5H,1-4,6H2,(H,14,15).
What are the key properties of 5-[(4-oxopiperidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid?
5-[(4-oxopiperidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid has a molecular weight of 224.22 g/mol, XLogP of 0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-oxopiperidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 61397903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).