1-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-phenylpiperazine-2,5-dione

C15H15N3O3 — CID 64967995

IUPAC1-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-phenylpiperazine-2,5-dione
SMILESCc1cc(CN2C(=O)CNC(=O)C2c2ccccc2)no1
InChIInChI=1S/C15H15N3O3/c1-10-7-12(17-21-10)9-18-13(19)8-16-15(20)14(18)11-5-3-2-4-6-11/h2-7,14H,8-9H2,1H3,(H,16,20)
InChIKeyVRRHIAWDEZVSOD-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.18
Rot. Bonds3

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

1-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-phenylpiperazine-2,5-dione (PubChem CID 64967995) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 1-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-phenylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-phenylpiperazine-2,5-dione
PubChem CID64967995
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name1-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-phenylpiperazine-2,5-dione
SMILESCc1cc(CN2C(=O)CNC(=O)C2c2ccccc2)no1
InChIInChI=1S/C15H15N3O3/c1-10-7-12(17-21-10)9-18-13(19)8-16-15(20)14(18)11-5-3-2-4-6-11/h2-7,14H,8-9H2,1H3,(H,16,20)
InChIKeyVRRHIAWDEZVSOD-UHFFFAOYSA-N
XLogP1.18
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 ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-phenylpiperazine-2,5-dione?
The IUPAC name of 1-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-phenylpiperazine-2,5-dione (CID 64967995) is 1-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-phenylpiperazine-2,5-dione.
What is the SMILES notation for 1-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-phenylpiperazine-2,5-dione?
The canonical SMILES for 1-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-phenylpiperazine-2,5-dione is Cc1cc(CN2C(=O)CNC(=O)C2c2ccccc2)no1.
What is the InChIKey of 1-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-phenylpiperazine-2,5-dione?
The InChIKey is VRRHIAWDEZVSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-10-7-12(17-21-10)9-18-13(19)8-16-15(20)14(18)11-5-3-2-4-6-11/h2-7,14H,8-9H2,1H3,(H,16,20).
What are the key properties of 1-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-phenylpiperazine-2,5-dione?
1-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-phenylpiperazine-2,5-dione has a molecular weight of 285.30 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-phenylpiperazine-2,5-dione is sourced from PubChem (CID 64967995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).