5-(piperazin-1-ylmethyl)-1,3-oxazole-2-carboxylic acid

C9H13N3O3 — CID 117192336

IUPAC5-(piperazin-1-ylmethyl)-1,3-oxazole-2-carboxylic acid
SMILESO=C(O)c1ncc(CN2CCNCC2)o1
InChIInChI=1S/C9H13N3O3/c13-9(14)8-11-5-7(15-8)6-12-3-1-10-2-4-12/h5,10H,1-4,6H2,(H,13,14)
InChIKeyBOYWFUQQGHRBRL-UHFFFAOYSA-N
MW211.22 g/mol
LogP-0.22
Rot. Bonds3

About 5-(piperazin-1-ylmethyl)-1,3-oxazole-2-carboxylic acid

5-(piperazin-1-ylmethyl)-1,3-oxazole-2-carboxylic acid (PubChem CID 117192336) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 5-(piperazin-1-ylmethyl)-1,3-oxazole-2-carboxylic acid.

Molecular Properties

Compound Name5-(piperazin-1-ylmethyl)-1,3-oxazole-2-carboxylic acid
PubChem CID117192336
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name5-(piperazin-1-ylmethyl)-1,3-oxazole-2-carboxylic acid
SMILESO=C(O)c1ncc(CN2CCNCC2)o1
InChIInChI=1S/C9H13N3O3/c13-9(14)8-11-5-7(15-8)6-12-3-1-10-2-4-12/h5,10H,1-4,6H2,(H,13,14)
InChIKeyBOYWFUQQGHRBRL-UHFFFAOYSA-N
XLogP-0.22
TPSA78.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(piperazin-1-ylmethyl)-1,2-oxazole-3-carboxylic acid
CID 61397942
1-[(5-ethylfuran-2-yl)methyl]piperazine
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1-[(5-bromofuran-2-yl)methyl]piperazine
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3-(piperazin-1-ylmethyl)-1,2-thiazole-5-carboxylic acid
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1,1-dioxo-3-(piperazin-1-ylmethyl)-1,2-thiazole-5-carboxylic acid
CID 117215738
5-(piperazin-1-ylmethyl)furan-2-amine
CID 82503886
methyl 3-methyl-5-(piperazin-1-ylmethyl)furan-2-carboxylate
CID 43162328
N-[5-(piperazin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide;dihydrochloride
CID 71308050
4-(1,4-diazepan-1-ylmethyl)pyrimidine-5-carboxylic acid
CID 102974209
5-(piperazin-1-ylmethyl)pyrimidine;2,2,2-trifluoroacetic acid
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2-bromo-5-(piperidin-1-ylmethyl)-1,3-oxazole
CID 117192193

Frequently Asked Questions

What is the IUPAC name of 5-(piperazin-1-ylmethyl)-1,3-oxazole-2-carboxylic acid?
The IUPAC name of 5-(piperazin-1-ylmethyl)-1,3-oxazole-2-carboxylic acid (CID 117192336) is 5-(piperazin-1-ylmethyl)-1,3-oxazole-2-carboxylic acid.
What is the SMILES notation for 5-(piperazin-1-ylmethyl)-1,3-oxazole-2-carboxylic acid?
The canonical SMILES for 5-(piperazin-1-ylmethyl)-1,3-oxazole-2-carboxylic acid is O=C(O)c1ncc(CN2CCNCC2)o1.
What is the InChIKey of 5-(piperazin-1-ylmethyl)-1,3-oxazole-2-carboxylic acid?
The InChIKey is BOYWFUQQGHRBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c13-9(14)8-11-5-7(15-8)6-12-3-1-10-2-4-12/h5,10H,1-4,6H2,(H,13,14).
What are the key properties of 5-(piperazin-1-ylmethyl)-1,3-oxazole-2-carboxylic acid?
5-(piperazin-1-ylmethyl)-1,3-oxazole-2-carboxylic acid has a molecular weight of 211.22 g/mol, XLogP of -0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(piperazin-1-ylmethyl)-1,3-oxazole-2-carboxylic acid is sourced from PubChem (CID 117192336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).