3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)-1,2-oxazole-5-carboxylic acid

C12H15N3O5 — CID 107369808

IUPAC3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)-1,2-oxazole-5-carboxylic acid
SMILESCN1CCN(C(=O)c2cc(C(=O)O)on2)C(C)(C)C1=O
InChIInChI=1S/C12H15N3O5/c1-12(2)11(19)14(3)4-5-15(12)9(16)7-6-8(10(17)18)20-13-7/h6H,4-5H2,1-3H3,(H,17,18)
InChIKeyMHJNBFVKYUQFDX-UHFFFAOYSA-N
MW281.27 g/mol
LogP0.07
Rot. Bonds2

About 3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)-1,2-oxazole-5-carboxylic acid

3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)-1,2-oxazole-5-carboxylic acid (PubChem CID 107369808) has the molecular formula C12H15N3O5 and a molecular weight of 281.27 g/mol. Its IUPAC name is 3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)-1,2-oxazole-5-carboxylic acid
PubChem CID107369808
Molecular FormulaC12H15N3O5
Molecular Weight281.27 g/mol
Exact Mass281.10
IUPAC Name3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)-1,2-oxazole-5-carboxylic acid
SMILESCN1CCN(C(=O)c2cc(C(=O)O)on2)C(C)(C)C1=O
InChIInChI=1S/C12H15N3O5/c1-12(2)11(19)14(3)4-5-15(12)9(16)7-6-8(10(17)18)20-13-7/h6H,4-5H2,1-3H3,(H,17,18)
InChIKeyMHJNBFVKYUQFDX-UHFFFAOYSA-N
XLogP0.07
TPSA103.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-methylpiperazine-1-carbonyl)-1,2-oxazole-5-carboxylic acid
CID 107368983
3-(4-propylpiperazine-1-carbonyl)-1,2-oxazole-5-carboxylic acid
CID 107368967
4-(3,4-dihydroxybenzoyl)-1,3,3-trimethylpiperazin-2-one
CID 103957472
3-(pyrrolidine-1-carbonyl)-1,2-oxazole-5-carboxylic acid
CID 107368970
4-(5-amino-2-methylbenzoyl)-1,3,3-trimethylpiperazin-2-one;hydrochloride
CID 120635811
3-(3,4-dihydroxypyrrolidine-1-carbonyl)-1,2-oxazole-5-carboxylic acid
CID 107370093
3-(4-acetyl-1,4-diazepane-1-carbonyl)-1,2-oxazole-5-carboxylic acid
CID 107369448
4-(5-amino-2,3-dichlorobenzoyl)-1,3,3-trimethylpiperazin-2-one
CID 107185544
4-(4-bromo-3-chlorobenzoyl)-1,3,3-trimethylpiperazin-2-one
CID 81002670
4-[3-(ethylamino)pyridine-4-carbonyl]-1,3,3-trimethylpiperazin-2-one
CID 105070728
4-(3-amino-2-chlorobenzoyl)-1,3,3-trimethylpiperazin-2-one
CID 115930608
3-(2,4-dimethylpyrrolidine-1-carbonyl)-1,2-oxazole-5-carboxylic acid
CID 107370025

Frequently Asked Questions

What is the IUPAC name of 3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)-1,2-oxazole-5-carboxylic acid (CID 107369808) is 3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)-1,2-oxazole-5-carboxylic acid is CN1CCN(C(=O)c2cc(C(=O)O)on2)C(C)(C)C1=O.
What is the InChIKey of 3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)-1,2-oxazole-5-carboxylic acid?
The InChIKey is MHJNBFVKYUQFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O5/c1-12(2)11(19)14(3)4-5-15(12)9(16)7-6-8(10(17)18)20-13-7/h6H,4-5H2,1-3H3,(H,17,18).
What are the key properties of 3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)-1,2-oxazole-5-carboxylic acid?
3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)-1,2-oxazole-5-carboxylic acid has a molecular weight of 281.27 g/mol, XLogP of 0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 107369808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).