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

C13H19N3O3 — CID 106377238

IUPAC1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione
SMILESCc1nc(CN2C(=O)CNC(=O)C2C(C)C)oc1C
InChIInChI=1S/C13H19N3O3/c1-7(2)12-13(18)14-5-11(17)16(12)6-10-15-8(3)9(4)19-10/h7,12H,5-6H2,1-4H3,(H,14,18)
InChIKeyWZRBDRQKWGCPSH-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.77
Rot. Bonds3

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

1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione (PubChem CID 106377238) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione
PubChem CID106377238
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione
SMILESCc1nc(CN2C(=O)CNC(=O)C2C(C)C)oc1C
InChIInChI=1S/C13H19N3O3/c1-7(2)12-13(18)14-5-11(17)16(12)6-10-15-8(3)9(4)19-10/h7,12H,5-6H2,1-4H3,(H,14,18)
InChIKeyWZRBDRQKWGCPSH-UHFFFAOYSA-N
XLogP0.77
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

6-propan-2-yl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione
CID 64880056
1-[(4-bromophenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione
CID 64879671
4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-sulfanylidene-1,2,4-triazolidin-3-one
CID 106376449
1-[(5-fluoro-2-methylphenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione
CID 105375794
1-[(4-fluoro-2-methylphenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione
CID 114349663
1-(7-methyloctyl)-6-propan-2-ylpiperazine-2,5-dione
CID 107818498
1-(1,4-dioxan-2-ylmethyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64964078
1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-propan-2-ylpiperazine-2,5-dione
CID 79237918
1-[(4-bromo-2-fluorophenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione
CID 64879480
6-propan-2-yl-1-(2-propylsulfonylethyl)piperazine-2,5-dione
CID 106733647
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidine-2,4-dione
CID 106373100
2-[(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)methyl]-4,5-dimethyl-1,3-oxazole
CID 106376809

Frequently Asked Questions

What is the IUPAC name of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione (CID 106377238) is 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione is Cc1nc(CN2C(=O)CNC(=O)C2C(C)C)oc1C.
What is the InChIKey of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione?
The InChIKey is WZRBDRQKWGCPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-7(2)12-13(18)14-5-11(17)16(12)6-10-15-8(3)9(4)19-10/h7,12H,5-6H2,1-4H3,(H,14,18).
What are the key properties of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione?
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione has a molecular weight of 265.31 g/mol, XLogP of 0.77, 3 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]-6-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 106377238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).