4-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl]piperazine-1-carboxylic acid

C11H16N4O4 — CID 68780628

IUPAC4-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl]piperazine-1-carboxylic acid
SMILESCc1noc(NC(=O)N2CCN(C(=O)O)CC2)c1C
InChIInChI=1S/C11H16N4O4/c1-7-8(2)13-19-9(7)12-10(16)14-3-5-15(6-4-14)11(17)18/h3-6H2,1-2H3,(H,12,16)(H,17,18)
InChIKeyZOGFADRPDOEFRS-UHFFFAOYSA-N
MW268.27 g/mol
LogP1.12
Rot. Bonds1

About 4-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl]piperazine-1-carboxylic acid

4-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl]piperazine-1-carboxylic acid (PubChem CID 68780628) has the molecular formula C11H16N4O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is 4-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl]piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl]piperazine-1-carboxylic acid
PubChem CID68780628
Molecular FormulaC11H16N4O4
Molecular Weight268.27 g/mol
Exact Mass268.12
IUPAC Name4-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl]piperazine-1-carboxylic acid
SMILESCc1noc(NC(=O)N2CCN(C(=O)O)CC2)c1C
InChIInChI=1S/C11H16N4O4/c1-7-8(2)13-19-9(7)12-10(16)14-3-5-15(6-4-14)11(17)18/h3-6H2,1-2H3,(H,12,16)(H,17,18)
InChIKeyZOGFADRPDOEFRS-UHFFFAOYSA-N
XLogP1.12
TPSA98.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl]piperazine-1-carboxylic acid?
The IUPAC name of 4-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl]piperazine-1-carboxylic acid (CID 68780628) is 4-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl]piperazine-1-carboxylic acid.
What is the SMILES notation for 4-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl]piperazine-1-carboxylic acid?
The canonical SMILES for 4-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl]piperazine-1-carboxylic acid is Cc1noc(NC(=O)N2CCN(C(=O)O)CC2)c1C.
What is the InChIKey of 4-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl]piperazine-1-carboxylic acid?
The InChIKey is ZOGFADRPDOEFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O4/c1-7-8(2)13-19-9(7)12-10(16)14-3-5-15(6-4-14)11(17)18/h3-6H2,1-2H3,(H,12,16)(H,17,18).
What are the key properties of 4-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl]piperazine-1-carboxylic acid?
4-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl]piperazine-1-carboxylic acid has a molecular weight of 268.27 g/mol, XLogP of 1.12, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl]piperazine-1-carboxylic acid is sourced from PubChem (CID 68780628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).