2-methyl-5-piperazin-1-yl-1,3-oxazole-4-carboxylic acid

C9H13N3O3 — CID 165440819

IUPAC2-methyl-5-piperazin-1-yl-1,3-oxazole-4-carboxylic acid
SMILESCc1nc(C(=O)O)c(N2CCNCC2)o1
InChIInChI=1S/C9H13N3O3/c1-6-11-7(9(13)14)8(15-6)12-4-2-10-3-5-12/h10H,2-5H2,1H3,(H,13,14)
InChIKeyNDMXOBKDOLWCST-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.09
Rot. Bonds2

About 2-methyl-5-piperazin-1-yl-1,3-oxazole-4-carboxylic acid

2-methyl-5-piperazin-1-yl-1,3-oxazole-4-carboxylic acid (PubChem CID 165440819) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 2-methyl-5-piperazin-1-yl-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-5-piperazin-1-yl-1,3-oxazole-4-carboxylic acid
PubChem CID165440819
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name2-methyl-5-piperazin-1-yl-1,3-oxazole-4-carboxylic acid
SMILESCc1nc(C(=O)O)c(N2CCNCC2)o1
InChIInChI=1S/C9H13N3O3/c1-6-11-7(9(13)14)8(15-6)12-4-2-10-3-5-12/h10H,2-5H2,1H3,(H,13,14)
InChIKeyNDMXOBKDOLWCST-UHFFFAOYSA-N
XLogP0.09
TPSA78.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-piperazin-1-yl-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-methyl-5-piperazin-1-yl-1,3-oxazole-4-carboxylic acid (CID 165440819) is 2-methyl-5-piperazin-1-yl-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-methyl-5-piperazin-1-yl-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-methyl-5-piperazin-1-yl-1,3-oxazole-4-carboxylic acid is Cc1nc(C(=O)O)c(N2CCNCC2)o1.
What is the InChIKey of 2-methyl-5-piperazin-1-yl-1,3-oxazole-4-carboxylic acid?
The InChIKey is NDMXOBKDOLWCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-6-11-7(9(13)14)8(15-6)12-4-2-10-3-5-12/h10H,2-5H2,1H3,(H,13,14).
What are the key properties of 2-methyl-5-piperazin-1-yl-1,3-oxazole-4-carboxylic acid?
2-methyl-5-piperazin-1-yl-1,3-oxazole-4-carboxylic acid has a molecular weight of 211.22 g/mol, XLogP of 0.09, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-piperazin-1-yl-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 165440819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).