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

C15H23N3O3 — CID 106376935

IUPAC3-ethyl-1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione
SMILESCCc1cnc(CN2C(=O)C(CC)NC(=O)C2C(C)C)o1
InChIInChI=1S/C15H23N3O3/c1-5-10-7-16-12(21-10)8-18-13(9(3)4)14(19)17-11(6-2)15(18)20/h7,9,11,13H,5-6,8H2,1-4H3,(H,17,19)
InChIKeyROKDUTSZNCWCOW-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.50
Rot. Bonds5

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

3-ethyl-1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione (PubChem CID 106376935) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 3-ethyl-1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-ethyl-1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione
PubChem CID106376935
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name3-ethyl-1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione
SMILESCCc1cnc(CN2C(=O)C(CC)NC(=O)C2C(C)C)o1
InChIInChI=1S/C15H23N3O3/c1-5-10-7-16-12(21-10)8-18-13(9(3)4)14(19)17-11(6-2)15(18)20/h7,9,11,13H,5-6,8H2,1-4H3,(H,17,19)
InChIKeyROKDUTSZNCWCOW-UHFFFAOYSA-N
XLogP1.50
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 3-ethyl-1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione (CID 106376935) is 3-ethyl-1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 3-ethyl-1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 3-ethyl-1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione is CCc1cnc(CN2C(=O)C(CC)NC(=O)C2C(C)C)o1.
What is the InChIKey of 3-ethyl-1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione?
The InChIKey is ROKDUTSZNCWCOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-5-10-7-16-12(21-10)8-18-13(9(3)4)14(19)17-11(6-2)15(18)20/h7,9,11,13H,5-6,8H2,1-4H3,(H,17,19).
What are the key properties of 3-ethyl-1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione?
3-ethyl-1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione has a molecular weight of 293.37 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 106376935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).