3,3-dimethyl-4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-2-one

C11H15N3O3 — CID 63362257

IUPAC3,3-dimethyl-4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-2-one
SMILESCc1cc(C(=O)N2CCNC(=O)C2(C)C)on1
InChIInChI=1S/C11H15N3O3/c1-7-6-8(17-13-7)9(15)14-5-4-12-10(16)11(14,2)3/h6H,4-5H2,1-3H3,(H,12,16)
InChIKeyKRLJUBYTEZBPEQ-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.33
Rot. Bonds1

About 3,3-dimethyl-4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-2-one

3,3-dimethyl-4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-2-one (PubChem CID 63362257) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 3,3-dimethyl-4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name3,3-dimethyl-4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-2-one
PubChem CID63362257
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name3,3-dimethyl-4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-2-one
SMILESCc1cc(C(=O)N2CCNC(=O)C2(C)C)on1
InChIInChI=1S/C11H15N3O3/c1-7-6-8(17-13-7)9(15)14-5-4-12-10(16)11(14,2)3/h6H,4-5H2,1-3H3,(H,12,16)
InChIKeyKRLJUBYTEZBPEQ-UHFFFAOYSA-N
XLogP0.33
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-2-one?
The IUPAC name of 3,3-dimethyl-4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-2-one (CID 63362257) is 3,3-dimethyl-4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-2-one.
What is the SMILES notation for 3,3-dimethyl-4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-2-one?
The canonical SMILES for 3,3-dimethyl-4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-2-one is Cc1cc(C(=O)N2CCNC(=O)C2(C)C)on1.
What is the InChIKey of 3,3-dimethyl-4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-2-one?
The InChIKey is KRLJUBYTEZBPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-7-6-8(17-13-7)9(15)14-5-4-12-10(16)11(14,2)3/h6H,4-5H2,1-3H3,(H,12,16).
What are the key properties of 3,3-dimethyl-4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-2-one?
3,3-dimethyl-4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-2-one has a molecular weight of 237.26 g/mol, XLogP of 0.33, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-2-one is sourced from PubChem (CID 63362257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).