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

C12H15N3O5 — CID 79937560

IUPAC5-[(2,5-dioxo-4-propylpiperazin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
SMILESCCCN1CC(=O)N(Cc2cc(C(=O)O)no2)CC1=O
InChIInChI=1S/C12H15N3O5/c1-2-3-14-6-11(17)15(7-10(14)16)5-8-4-9(12(18)19)13-20-8/h4H,2-3,5-7H2,1H3,(H,18,19)
InChIKeyQWONBRMMNZGESR-UHFFFAOYSA-N
MW281.27 g/mol
LogP-0.05
Rot. Bonds5

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

5-[(2,5-dioxo-4-propylpiperazin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid (PubChem CID 79937560) has the molecular formula C12H15N3O5 and a molecular weight of 281.27 g/mol. Its IUPAC name is 5-[(2,5-dioxo-4-propylpiperazin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[(2,5-dioxo-4-propylpiperazin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
PubChem CID79937560
Molecular FormulaC12H15N3O5
Molecular Weight281.27 g/mol
Exact Mass281.10
IUPAC Name5-[(2,5-dioxo-4-propylpiperazin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
SMILESCCCN1CC(=O)N(Cc2cc(C(=O)O)no2)CC1=O
InChIInChI=1S/C12H15N3O5/c1-2-3-14-6-11(17)15(7-10(14)16)5-8-4-9(12(18)19)13-20-8/h4H,2-3,5-7H2,1H3,(H,18,19)
InChIKeyQWONBRMMNZGESR-UHFFFAOYSA-N
XLogP-0.05
TPSA103.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,5-dioxo-4-propylpiperazin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-[(2,5-dioxo-4-propylpiperazin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid (CID 79937560) is 5-[(2,5-dioxo-4-propylpiperazin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-[(2,5-dioxo-4-propylpiperazin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-[(2,5-dioxo-4-propylpiperazin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid is CCCN1CC(=O)N(Cc2cc(C(=O)O)no2)CC1=O.
What is the InChIKey of 5-[(2,5-dioxo-4-propylpiperazin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid?
The InChIKey is QWONBRMMNZGESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O5/c1-2-3-14-6-11(17)15(7-10(14)16)5-8-4-9(12(18)19)13-20-8/h4H,2-3,5-7H2,1H3,(H,18,19).
What are the key properties of 5-[(2,5-dioxo-4-propylpiperazin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid?
5-[(2,5-dioxo-4-propylpiperazin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid has a molecular weight of 281.27 g/mol, XLogP of -0.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,5-dioxo-4-propylpiperazin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 79937560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).