6-methyl-1-(1,2-oxazol-3-ylmethyl)-3-phenylpiperazine-2,5-dione

C15H15N3O3 — CID 81177581

IUPAC6-methyl-1-(1,2-oxazol-3-ylmethyl)-3-phenylpiperazine-2,5-dione
SMILESCC1C(=O)NC(c2ccccc2)C(=O)N1Cc1ccon1
InChIInChI=1S/C15H15N3O3/c1-10-14(19)16-13(11-5-3-2-4-6-11)15(20)18(10)9-12-7-8-21-17-12/h2-8,10,13H,9H2,1H3,(H,16,19)
InChIKeyDBMRYKOHJSWVKP-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.26
Rot. Bonds3

About 6-methyl-1-(1,2-oxazol-3-ylmethyl)-3-phenylpiperazine-2,5-dione

6-methyl-1-(1,2-oxazol-3-ylmethyl)-3-phenylpiperazine-2,5-dione (PubChem CID 81177581) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 6-methyl-1-(1,2-oxazol-3-ylmethyl)-3-phenylpiperazine-2,5-dione.

Molecular Properties

Compound Name6-methyl-1-(1,2-oxazol-3-ylmethyl)-3-phenylpiperazine-2,5-dione
PubChem CID81177581
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name6-methyl-1-(1,2-oxazol-3-ylmethyl)-3-phenylpiperazine-2,5-dione
SMILESCC1C(=O)NC(c2ccccc2)C(=O)N1Cc1ccon1
InChIInChI=1S/C15H15N3O3/c1-10-14(19)16-13(11-5-3-2-4-6-11)15(20)18(10)9-12-7-8-21-17-12/h2-8,10,13H,9H2,1H3,(H,16,19)
InChIKeyDBMRYKOHJSWVKP-UHFFFAOYSA-N
XLogP1.26
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-(1,2-oxazol-3-ylmethyl)-3-phenylpiperazine-2,5-dione?
The IUPAC name of 6-methyl-1-(1,2-oxazol-3-ylmethyl)-3-phenylpiperazine-2,5-dione (CID 81177581) is 6-methyl-1-(1,2-oxazol-3-ylmethyl)-3-phenylpiperazine-2,5-dione.
What is the SMILES notation for 6-methyl-1-(1,2-oxazol-3-ylmethyl)-3-phenylpiperazine-2,5-dione?
The canonical SMILES for 6-methyl-1-(1,2-oxazol-3-ylmethyl)-3-phenylpiperazine-2,5-dione is CC1C(=O)NC(c2ccccc2)C(=O)N1Cc1ccon1.
What is the InChIKey of 6-methyl-1-(1,2-oxazol-3-ylmethyl)-3-phenylpiperazine-2,5-dione?
The InChIKey is DBMRYKOHJSWVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-10-14(19)16-13(11-5-3-2-4-6-11)15(20)18(10)9-12-7-8-21-17-12/h2-8,10,13H,9H2,1H3,(H,16,19).
What are the key properties of 6-methyl-1-(1,2-oxazol-3-ylmethyl)-3-phenylpiperazine-2,5-dione?
6-methyl-1-(1,2-oxazol-3-ylmethyl)-3-phenylpiperazine-2,5-dione has a molecular weight of 285.30 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-(1,2-oxazol-3-ylmethyl)-3-phenylpiperazine-2,5-dione is sourced from PubChem (CID 81177581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).