1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3,6-di(propan-2-yl)piperazine-2,5-dione

C14H22N4O3 — CID 106409291

IUPAC1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3,6-di(propan-2-yl)piperazine-2,5-dione
SMILESCc1nc(CN2C(=O)C(C(C)C)NC(=O)C2C(C)C)no1
InChIInChI=1S/C14H22N4O3/c1-7(2)11-14(20)18(6-10-15-9(5)21-17-10)12(8(3)4)13(19)16-11/h7-8,11-12H,6H2,1-5H3,(H,16,19)
InChIKeyFVKBYMHXPTYMJV-UHFFFAOYSA-N
MW294.36 g/mol
LogP0.89
Rot. Bonds4

About 1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3,6-di(propan-2-yl)piperazine-2,5-dione

1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3,6-di(propan-2-yl)piperazine-2,5-dione (PubChem CID 106409291) has the molecular formula C14H22N4O3 and a molecular weight of 294.36 g/mol. Its IUPAC name is 1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3,6-di(propan-2-yl)piperazine-2,5-dione.

Molecular Properties

Compound Name1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3,6-di(propan-2-yl)piperazine-2,5-dione
PubChem CID106409291
Molecular FormulaC14H22N4O3
Molecular Weight294.36 g/mol
Exact Mass294.17
IUPAC Name1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3,6-di(propan-2-yl)piperazine-2,5-dione
SMILESCc1nc(CN2C(=O)C(C(C)C)NC(=O)C2C(C)C)no1
InChIInChI=1S/C14H22N4O3/c1-7(2)11-14(20)18(6-10-15-9(5)21-17-10)12(8(3)4)13(19)16-11/h7-8,11-12H,6H2,1-5H3,(H,16,19)
InChIKeyFVKBYMHXPTYMJV-UHFFFAOYSA-N
XLogP0.89
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3,6-di(propan-2-yl)piperazine-2,5-dione with MolForge

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Related Compounds

3-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione
CID 106409247
3-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione
CID 106409230
1-[(2-methyltetrazol-5-yl)methyl]-3,6-di(propan-2-yl)piperazine-2,5-dione
CID 107056430
1-[(5-methylthiophen-2-yl)methyl]-3,6-di(propan-2-yl)piperazine-2,5-dione
CID 64968489
3-butan-2-yl-6-methyl-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]piperazine-2,5-dione
CID 106421974
3,6-diethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-2,5-dione
CID 106409193
1-(3-methylbutyl)-3,6-di(propan-2-yl)piperazine-2,5-dione
CID 64872808
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-enyl-3,6-di(propan-2-yl)piperazine-2,5-dione
CID 113466183
6-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-2,5-dione
CID 106409311
6-ethyl-3,3-dimethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-2,5-dione
CID 106409299

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3,6-di(propan-2-yl)piperazine-2,5-dione?
The IUPAC name of 1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3,6-di(propan-2-yl)piperazine-2,5-dione (CID 106409291) is 1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3,6-di(propan-2-yl)piperazine-2,5-dione.
What is the SMILES notation for 1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3,6-di(propan-2-yl)piperazine-2,5-dione?
The canonical SMILES for 1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3,6-di(propan-2-yl)piperazine-2,5-dione is Cc1nc(CN2C(=O)C(C(C)C)NC(=O)C2C(C)C)no1.
What is the InChIKey of 1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3,6-di(propan-2-yl)piperazine-2,5-dione?
The InChIKey is FVKBYMHXPTYMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-7(2)11-14(20)18(6-10-15-9(5)21-17-10)12(8(3)4)13(19)16-11/h7-8,11-12H,6H2,1-5H3,(H,16,19).
What are the key properties of 1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3,6-di(propan-2-yl)piperazine-2,5-dione?
1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3,6-di(propan-2-yl)piperazine-2,5-dione has a molecular weight of 294.36 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3,6-di(propan-2-yl)piperazine-2,5-dione is sourced from PubChem (CID 106409291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).