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

C12H17N3O3 — CID 106377091

IUPAC1-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-propan-2-ylpiperazine-2,5-dione
SMILESCc1cnc(CN2CC(=O)NC(C(C)C)C2=O)o1
InChIInChI=1S/C12H17N3O3/c1-7(2)11-12(17)15(5-9(16)14-11)6-10-13-4-8(3)18-10/h4,7,11H,5-6H2,1-3H3,(H,14,16)
InChIKeyYLTYWSPXJGOKLU-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.47
Rot. Bonds3

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

1-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-propan-2-ylpiperazine-2,5-dione (PubChem CID 106377091) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 1-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-propan-2-ylpiperazine-2,5-dione
PubChem CID106377091
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name1-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-propan-2-ylpiperazine-2,5-dione
SMILESCc1cnc(CN2CC(=O)NC(C(C)C)C2=O)o1
InChIInChI=1S/C12H17N3O3/c1-7(2)11-12(17)15(5-9(16)14-11)6-10-13-4-8(3)18-10/h4,7,11H,5-6H2,1-3H3,(H,14,16)
InChIKeyYLTYWSPXJGOKLU-UHFFFAOYSA-N
XLogP0.47
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

3-methyl-1-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,4-diazepane-2,5-dione
CID 114180954
1-[(4-methylphenyl)methyl]-3-propan-2-ylpiperazine-2,5-dione
CID 64879368
3-bromo-1-[(5-methyl-1,3-oxazol-2-yl)methyl]piperidin-2-one
CID 106376506
1-[(3-methyl-4-pyridinyl)methyl]-3-propan-2-ylpiperazine-2,5-dione
CID 114702104
3-amino-1-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-2-one
CID 106373170
1-[(1-methylimidazol-2-yl)methyl]-3-propan-2-ylpiperazine-2,5-dione
CID 64970996
1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-propan-2-ylpiperazine-2,5-dione
CID 64966344
3-propan-2-yl-1-(pyrimidin-4-ylmethyl)piperazine-2,5-dione
CID 114112313
1-(2-fluoroethyl)-3-propan-2-ylpiperazine-2,5-dione
CID 80697304
1-[(2,5-dimethylphenyl)methyl]-3-propan-2-ylpiperazine-2,5-dione
CID 64878987
1-[(2-bromophenyl)methyl]-3-propan-2-ylpiperazine-2,5-dione
CID 64881106
1-(2-methylbutyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64879559

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 1-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-propan-2-ylpiperazine-2,5-dione (CID 106377091) is 1-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 1-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 1-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-propan-2-ylpiperazine-2,5-dione is Cc1cnc(CN2CC(=O)NC(C(C)C)C2=O)o1.
What is the InChIKey of 1-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-propan-2-ylpiperazine-2,5-dione?
The InChIKey is YLTYWSPXJGOKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-7(2)11-12(17)15(5-9(16)14-11)6-10-13-4-8(3)18-10/h4,7,11H,5-6H2,1-3H3,(H,14,16).
What are the key properties of 1-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-propan-2-ylpiperazine-2,5-dione?
1-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-propan-2-ylpiperazine-2,5-dione has a molecular weight of 251.29 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 106377091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).