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

C11H15N3O3 — CID 106377205

IUPAC1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methylpiperazine-2,5-dione
SMILESCc1nc(CN2CC(=O)NC(C)C2=O)oc1C
InChIInChI=1S/C11H15N3O3/c1-6-8(3)17-10(13-6)5-14-4-9(15)12-7(2)11(14)16/h7H,4-5H2,1-3H3,(H,12,15)
InChIKeyZOLPPMXJFPPTII-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.14
Rot. Bonds2

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

1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methylpiperazine-2,5-dione (PubChem CID 106377205) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methylpiperazine-2,5-dione
PubChem CID106377205
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methylpiperazine-2,5-dione
SMILESCc1nc(CN2CC(=O)NC(C)C2=O)oc1C
InChIInChI=1S/C11H15N3O3/c1-6-8(3)17-10(13-6)5-14-4-9(15)12-7(2)11(14)16/h7H,4-5H2,1-3H3,(H,12,15)
InChIKeyZOLPPMXJFPPTII-UHFFFAOYSA-N
XLogP0.14
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-butan-2-yl-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,4-diazepane-2,5-dione
CID 106377132
3-methyl-1-[(5-methylfuran-2-yl)methyl]piperazine-2,5-dione
CID 64969258
3-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-2,5-dione
CID 64966457
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidine-2,4-dione
CID 106373100
3-methyl-1-[(5-methylthiophen-2-yl)methyl]piperazine-2,5-dione
CID 64968470
10-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6,10-diazaspiro[4.6]undecane-7,11-dione
CID 106377160
(8aR)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
CID 97314154
3-methyl-1-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,4-diazepane-2,5-dione
CID 114180954
1-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-propan-2-ylpiperazine-2,5-dione
CID 106377091
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyrrole-2,5-dione
CID 106373296
3-methyl-1-(1,3-thiazol-2-ylmethyl)piperazine-2,5-dione
CID 64966359
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidine-3,4-dicarboxylic acid
CID 115918697

Frequently Asked Questions

What is the IUPAC name of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methylpiperazine-2,5-dione?
The IUPAC name of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methylpiperazine-2,5-dione (CID 106377205) is 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methylpiperazine-2,5-dione.
What is the SMILES notation for 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methylpiperazine-2,5-dione?
The canonical SMILES for 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methylpiperazine-2,5-dione is Cc1nc(CN2CC(=O)NC(C)C2=O)oc1C.
What is the InChIKey of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methylpiperazine-2,5-dione?
The InChIKey is ZOLPPMXJFPPTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-6-8(3)17-10(13-6)5-14-4-9(15)12-7(2)11(14)16/h7H,4-5H2,1-3H3,(H,12,15).
What are the key properties of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methylpiperazine-2,5-dione?
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methylpiperazine-2,5-dione has a molecular weight of 237.26 g/mol, XLogP of 0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methylpiperazine-2,5-dione is sourced from PubChem (CID 106377205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).