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

C11H17N3O2 — CID 119101550

IUPAC1-[4-[(5-methyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(Cc2cnoc2C)CC1
InChIInChI=1S/C11H17N3O2/c1-9-11(7-12-16-9)8-13-3-5-14(6-4-13)10(2)15/h7H,3-6,8H2,1-2H3
InChIKeyJOYPABGQXXJVQI-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.65
Rot. Bonds2

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

1-[4-[(5-methyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]ethanone (PubChem CID 119101550) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 1-[4-[(5-methyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(5-methyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]ethanone
PubChem CID119101550
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name1-[4-[(5-methyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(Cc2cnoc2C)CC1
InChIInChI=1S/C11H17N3O2/c1-9-11(7-12-16-9)8-13-3-5-14(6-4-13)10(2)15/h7H,3-6,8H2,1-2H3
InChIKeyJOYPABGQXXJVQI-UHFFFAOYSA-N
XLogP0.65
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5-methyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[(5-methyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]ethanone (CID 119101550) is 1-[4-[(5-methyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(5-methyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(5-methyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(Cc2cnoc2C)CC1.
What is the InChIKey of 1-[4-[(5-methyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]ethanone?
The InChIKey is JOYPABGQXXJVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-9-11(7-12-16-9)8-13-3-5-14(6-4-13)10(2)15/h7H,3-6,8H2,1-2H3.
What are the key properties of 1-[4-[(5-methyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]ethanone?
1-[4-[(5-methyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]ethanone has a molecular weight of 223.28 g/mol, XLogP of 0.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5-methyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 119101550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).