5-(4-acetylpiperazine-1-carbonyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid

C11H15N3O5 — CID 107426689

IUPAC5-(4-acetylpiperazine-1-carbonyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid
SMILESCC(=O)N1CCN(C(=O)C2CC(C(=O)O)=NO2)CC1
InChIInChI=1S/C11H15N3O5/c1-7(15)13-2-4-14(5-3-13)10(16)9-6-8(11(17)18)12-19-9/h9H,2-6H2,1H3,(H,17,18)
InChIKeyDZCFZRZDNVZBNO-UHFFFAOYSA-N
MW269.26 g/mol
LogP-1.09
Rot. Bonds2

About 5-(4-acetylpiperazine-1-carbonyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid

5-(4-acetylpiperazine-1-carbonyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid (PubChem CID 107426689) has the molecular formula C11H15N3O5 and a molecular weight of 269.26 g/mol. Its IUPAC name is 5-(4-acetylpiperazine-1-carbonyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(4-acetylpiperazine-1-carbonyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid
PubChem CID107426689
Molecular FormulaC11H15N3O5
Molecular Weight269.26 g/mol
Exact Mass269.10
IUPAC Name5-(4-acetylpiperazine-1-carbonyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid
SMILESCC(=O)N1CCN(C(=O)C2CC(C(=O)O)=NO2)CC1
InChIInChI=1S/C11H15N3O5/c1-7(15)13-2-4-14(5-3-13)10(16)9-6-8(11(17)18)12-19-9/h9H,2-6H2,1H3,(H,17,18)
InChIKeyDZCFZRZDNVZBNO-UHFFFAOYSA-N
XLogP-1.09
TPSA99.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 5-1.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-acetylpiperazine-1-carbonyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(4-acetylpiperazine-1-carbonyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid (CID 107426689) is 5-(4-acetylpiperazine-1-carbonyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(4-acetylpiperazine-1-carbonyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(4-acetylpiperazine-1-carbonyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid is CC(=O)N1CCN(C(=O)C2CC(C(=O)O)=NO2)CC1.
What is the InChIKey of 5-(4-acetylpiperazine-1-carbonyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The InChIKey is DZCFZRZDNVZBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O5/c1-7(15)13-2-4-14(5-3-13)10(16)9-6-8(11(17)18)12-19-9/h9H,2-6H2,1H3,(H,17,18).
What are the key properties of 5-(4-acetylpiperazine-1-carbonyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
5-(4-acetylpiperazine-1-carbonyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid has a molecular weight of 269.26 g/mol, XLogP of -1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-acetylpiperazine-1-carbonyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 107426689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).