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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Related Compounds

methyl N-(5-methyl-1,2-oxazole-3-carbonyl)glycinate
CID 2747412
5-methyl-N-[3-(2-oxo-1-pyrrolidinyl)propyl]-3-isoxazolecarboxamide
CID 2225426
3-Methyl-N-propylisoxazole-5-carboxamide
CID 9551512
3-methyl-N-(propan-2-yl)-1,2-oxazole-5-carboxamide
CID 3245069
(2,6-Dimethylpiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
CID 4231415
4-Methyl-1-[(3-methylisoxazol-5-yl)carbonyl]piperidine
CID 16193762
N-cyclohexyl-3-methyl-1,2-oxazole-5-carboxamide
CID 16194128
3,7-Diazabicyclo[3.3.1]nonan-3-yl-(3-methyl-1,2-oxazol-5-yl)methanone
CID 59268916
3,7-Diazabicyclo[3.3.1]nonan-3-yl-(5-methyl-1,2-oxazol-3-yl)methanone
CID 59268944
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(3-methyl-1,2-oxazol-5-yl)methanone
CID 59268946
5-Methyl-N-(piperidin-4-yl)-1,2-oxazole-3-carboxamide
CID 43345754
N-cyclopentyl-3-methylisoxazole-5-carboxamide
CID 5308964

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).