1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,3-dimethyl-6-propan-2-ylpiperazine-2,5-dione

C15H23N3O3 — CID 79232201

IUPAC1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,3-dimethyl-6-propan-2-ylpiperazine-2,5-dione
SMILESCc1noc(C)c1CN1C(=O)C(C)(C)NC(=O)C1C(C)C
InChIInChI=1S/C15H23N3O3/c1-8(2)12-13(19)16-15(5,6)14(20)18(12)7-11-9(3)17-21-10(11)4/h8,12H,7H2,1-6H3,(H,16,19)
InChIKeyKKWRNYHDQKPLCN-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.55
Rot. Bonds3

About 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,3-dimethyl-6-propan-2-ylpiperazine-2,5-dione

1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,3-dimethyl-6-propan-2-ylpiperazine-2,5-dione (PubChem CID 79232201) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,3-dimethyl-6-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,3-dimethyl-6-propan-2-ylpiperazine-2,5-dione
PubChem CID79232201
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,3-dimethyl-6-propan-2-ylpiperazine-2,5-dione
SMILESCc1noc(C)c1CN1C(=O)C(C)(C)NC(=O)C1C(C)C
InChIInChI=1S/C15H23N3O3/c1-8(2)12-13(19)16-15(5,6)14(20)18(12)7-11-9(3)17-21-10(11)4/h8,12H,7H2,1-6H3,(H,16,19)
InChIKeyKKWRNYHDQKPLCN-UHFFFAOYSA-N
XLogP1.55
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,3-dimethyl-6-propan-2-ylpiperazine-2,5-dione with MolForge

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Launch Full Analysis

Related Compounds

1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 79237764
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-ethyl-3-propan-2-ylpiperazine-2,5-dione
CID 79232203
1-but-3-ynyl-3,3-dimethyl-6-propan-2-ylpiperazine-2,5-dione
CID 64972499
3,3-dimethyl-6-propan-2-yl-1-(2-propan-2-ylsulfonylethyl)piperazine-2,5-dione
CID 106733527
3,3-dimethyl-6-propan-2-yl-1-(4,4,4-trifluorobutyl)piperazine-2,5-dione
CID 115519251
3-ethyl-3-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione
CID 64970930
6-ethyl-3,3-dimethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-2,5-dione
CID 106409299
3-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione
CID 106409247
1-[(3-methoxyoxolan-3-yl)methyl]-3,3-dimethyl-6-propan-2-ylpiperazine-2,5-dione
CID 104766533
6-butan-2-yl-3,3-dimethyl-1-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione
CID 115979661
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,4-dihydro-1H-furo[3,4-b]pyrazin-3-one
CID 82376840
1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3,6-di(propan-2-yl)piperazine-2,5-dione
CID 106409291

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,3-dimethyl-6-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,3-dimethyl-6-propan-2-ylpiperazine-2,5-dione (CID 79232201) is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,3-dimethyl-6-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,3-dimethyl-6-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,3-dimethyl-6-propan-2-ylpiperazine-2,5-dione is Cc1noc(C)c1CN1C(=O)C(C)(C)NC(=O)C1C(C)C.
What is the InChIKey of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,3-dimethyl-6-propan-2-ylpiperazine-2,5-dione?
The InChIKey is KKWRNYHDQKPLCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-8(2)12-13(19)16-15(5,6)14(20)18(12)7-11-9(3)17-21-10(11)4/h8,12H,7H2,1-6H3,(H,16,19).
What are the key properties of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,3-dimethyl-6-propan-2-ylpiperazine-2,5-dione?
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,3-dimethyl-6-propan-2-ylpiperazine-2,5-dione has a molecular weight of 293.37 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,3-dimethyl-6-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 79232201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).