1-benzyl-4-[(5-methyl-1,2-oxazol-4-yl)methyl]piperazin-2-one

C16H19N3O2 — CID 154575642

IUPAC1-benzyl-4-[(5-methyl-1,2-oxazol-4-yl)methyl]piperazin-2-one
SMILESCc1oncc1CN1CCN(Cc2ccccc2)C(=O)C1
InChIInChI=1S/C16H19N3O2/c1-13-15(9-17-21-13)11-18-7-8-19(16(20)12-18)10-14-5-3-2-4-6-14/h2-6,9H,7-8,10-12H2,1H3
InChIKeyGJJBVNIOBPUFHS-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.83
Rot. Bonds4

About 1-benzyl-4-[(5-methyl-1,2-oxazol-4-yl)methyl]piperazin-2-one

1-benzyl-4-[(5-methyl-1,2-oxazol-4-yl)methyl]piperazin-2-one (PubChem CID 154575642) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-benzyl-4-[(5-methyl-1,2-oxazol-4-yl)methyl]piperazin-2-one.

Molecular Properties

Compound Name1-benzyl-4-[(5-methyl-1,2-oxazol-4-yl)methyl]piperazin-2-one
PubChem CID154575642
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name1-benzyl-4-[(5-methyl-1,2-oxazol-4-yl)methyl]piperazin-2-one
SMILESCc1oncc1CN1CCN(Cc2ccccc2)C(=O)C1
InChIInChI=1S/C16H19N3O2/c1-13-15(9-17-21-13)11-18-7-8-19(16(20)12-18)10-14-5-3-2-4-6-14/h2-6,9H,7-8,10-12H2,1H3
InChIKeyGJJBVNIOBPUFHS-UHFFFAOYSA-N
XLogP1.83
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[(5-methyl-1,2-oxazol-4-yl)methyl]piperazin-2-one?
The IUPAC name of 1-benzyl-4-[(5-methyl-1,2-oxazol-4-yl)methyl]piperazin-2-one (CID 154575642) is 1-benzyl-4-[(5-methyl-1,2-oxazol-4-yl)methyl]piperazin-2-one.
What is the SMILES notation for 1-benzyl-4-[(5-methyl-1,2-oxazol-4-yl)methyl]piperazin-2-one?
The canonical SMILES for 1-benzyl-4-[(5-methyl-1,2-oxazol-4-yl)methyl]piperazin-2-one is Cc1oncc1CN1CCN(Cc2ccccc2)C(=O)C1.
What is the InChIKey of 1-benzyl-4-[(5-methyl-1,2-oxazol-4-yl)methyl]piperazin-2-one?
The InChIKey is GJJBVNIOBPUFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-13-15(9-17-21-13)11-18-7-8-19(16(20)12-18)10-14-5-3-2-4-6-14/h2-6,9H,7-8,10-12H2,1H3.
What are the key properties of 1-benzyl-4-[(5-methyl-1,2-oxazol-4-yl)methyl]piperazin-2-one?
1-benzyl-4-[(5-methyl-1,2-oxazol-4-yl)methyl]piperazin-2-one has a molecular weight of 285.35 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[(5-methyl-1,2-oxazol-4-yl)methyl]piperazin-2-one is sourced from PubChem (CID 154575642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).