1-(5-methyl-1,2-oxazole-3-carbonyl)-5-oxopiperazine-2-carboxylic acid

C10H11N3O5 — CID 107432931

IUPAC1-(5-methyl-1,2-oxazole-3-carbonyl)-5-oxopiperazine-2-carboxylic acid
SMILESCc1cc(C(=O)N2CC(=O)NCC2C(=O)O)no1
InChIInChI=1S/C10H11N3O5/c1-5-2-6(12-18-5)9(15)13-4-8(14)11-3-7(13)10(16)17/h2,7H,3-4H2,1H3,(H,11,14)(H,16,17)
InChIKeyLNZGWERCTKDTNX-UHFFFAOYSA-N
MW253.21 g/mol
LogP-0.99
Rot. Bonds2

About 1-(5-methyl-1,2-oxazole-3-carbonyl)-5-oxopiperazine-2-carboxylic acid

1-(5-methyl-1,2-oxazole-3-carbonyl)-5-oxopiperazine-2-carboxylic acid (PubChem CID 107432931) has the molecular formula C10H11N3O5 and a molecular weight of 253.21 g/mol. Its IUPAC name is 1-(5-methyl-1,2-oxazole-3-carbonyl)-5-oxopiperazine-2-carboxylic acid.

Molecular Properties

Compound Name1-(5-methyl-1,2-oxazole-3-carbonyl)-5-oxopiperazine-2-carboxylic acid
PubChem CID107432931
Molecular FormulaC10H11N3O5
Molecular Weight253.21 g/mol
Exact Mass253.07
IUPAC Name1-(5-methyl-1,2-oxazole-3-carbonyl)-5-oxopiperazine-2-carboxylic acid
SMILESCc1cc(C(=O)N2CC(=O)NCC2C(=O)O)no1
InChIInChI=1S/C10H11N3O5/c1-5-2-6(12-18-5)9(15)13-4-8(14)11-3-7(13)10(16)17/h2,7H,3-4H2,1H3,(H,11,14)(H,16,17)
InChIKeyLNZGWERCTKDTNX-UHFFFAOYSA-N
XLogP-0.99
TPSA112.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.21
LogP ≤ 5-0.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,2-oxazole-3-carbonyl)-5-oxopiperazine-2-carboxylic acid?
The IUPAC name of 1-(5-methyl-1,2-oxazole-3-carbonyl)-5-oxopiperazine-2-carboxylic acid (CID 107432931) is 1-(5-methyl-1,2-oxazole-3-carbonyl)-5-oxopiperazine-2-carboxylic acid.
What is the SMILES notation for 1-(5-methyl-1,2-oxazole-3-carbonyl)-5-oxopiperazine-2-carboxylic acid?
The canonical SMILES for 1-(5-methyl-1,2-oxazole-3-carbonyl)-5-oxopiperazine-2-carboxylic acid is Cc1cc(C(=O)N2CC(=O)NCC2C(=O)O)no1.
What is the InChIKey of 1-(5-methyl-1,2-oxazole-3-carbonyl)-5-oxopiperazine-2-carboxylic acid?
The InChIKey is LNZGWERCTKDTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O5/c1-5-2-6(12-18-5)9(15)13-4-8(14)11-3-7(13)10(16)17/h2,7H,3-4H2,1H3,(H,11,14)(H,16,17).
What are the key properties of 1-(5-methyl-1,2-oxazole-3-carbonyl)-5-oxopiperazine-2-carboxylic acid?
1-(5-methyl-1,2-oxazole-3-carbonyl)-5-oxopiperazine-2-carboxylic acid has a molecular weight of 253.21 g/mol, XLogP of -0.99, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,2-oxazole-3-carbonyl)-5-oxopiperazine-2-carboxylic acid is sourced from PubChem (CID 107432931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).