2-methyl-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperazine-1-carboxylic acid

C11H18N4O3 — CID 67057545

IUPAC2-methyl-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperazine-1-carboxylic acid
SMILESCC(C)c1nc(N2CCN(C(=O)O)C(C)C2)no1
InChIInChI=1S/C11H18N4O3/c1-7(2)9-12-10(13-18-9)14-4-5-15(11(16)17)8(3)6-14/h7-8H,4-6H2,1-3H3,(H,16,17)
InChIKeyDSCJXAWSHIPQLF-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.38
Rot. Bonds2

About 2-methyl-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperazine-1-carboxylic acid

2-methyl-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperazine-1-carboxylic acid (PubChem CID 67057545) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-methyl-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperazine-1-carboxylic acid.

Molecular Properties

Compound Name2-methyl-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperazine-1-carboxylic acid
PubChem CID67057545
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name2-methyl-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperazine-1-carboxylic acid
SMILESCC(C)c1nc(N2CCN(C(=O)O)C(C)C2)no1
InChIInChI=1S/C11H18N4O3/c1-7(2)9-12-10(13-18-9)14-4-5-15(11(16)17)8(3)6-14/h7-8H,4-6H2,1-3H3,(H,16,17)
InChIKeyDSCJXAWSHIPQLF-UHFFFAOYSA-N
XLogP1.38
TPSA82.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperazine-1-carboxylic acid?
The IUPAC name of 2-methyl-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperazine-1-carboxylic acid (CID 67057545) is 2-methyl-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperazine-1-carboxylic acid.
What is the SMILES notation for 2-methyl-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperazine-1-carboxylic acid?
The canonical SMILES for 2-methyl-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperazine-1-carboxylic acid is CC(C)c1nc(N2CCN(C(=O)O)C(C)C2)no1.
What is the InChIKey of 2-methyl-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperazine-1-carboxylic acid?
The InChIKey is DSCJXAWSHIPQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-7(2)9-12-10(13-18-9)14-4-5-15(11(16)17)8(3)6-14/h7-8H,4-6H2,1-3H3,(H,16,17).
What are the key properties of 2-methyl-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperazine-1-carboxylic acid?
2-methyl-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperazine-1-carboxylic acid has a molecular weight of 254.29 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperazine-1-carboxylic acid is sourced from PubChem (CID 67057545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).