2-(4-methyl-1,3-oxazol-5-yl)-1-(4-methylpiperazin-1-yl)ethanone

C11H17N3O2 — CID 110679799

IUPAC2-(4-methyl-1,3-oxazol-5-yl)-1-(4-methylpiperazin-1-yl)ethanone
SMILESCc1ncoc1CC(=O)N1CCN(C)CC1
InChIInChI=1S/C11H17N3O2/c1-9-10(16-8-12-9)7-11(15)14-5-3-13(2)4-6-14/h8H,3-7H2,1-2H3
InChIKeyWBOVGMAJDXHUCF-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.30
Rot. Bonds2

About 2-(4-methyl-1,3-oxazol-5-yl)-1-(4-methylpiperazin-1-yl)ethanone

2-(4-methyl-1,3-oxazol-5-yl)-1-(4-methylpiperazin-1-yl)ethanone (PubChem CID 110679799) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-(4-methyl-1,3-oxazol-5-yl)-1-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-methyl-1,3-oxazol-5-yl)-1-(4-methylpiperazin-1-yl)ethanone
PubChem CID110679799
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name2-(4-methyl-1,3-oxazol-5-yl)-1-(4-methylpiperazin-1-yl)ethanone
SMILESCc1ncoc1CC(=O)N1CCN(C)CC1
InChIInChI=1S/C11H17N3O2/c1-9-10(16-8-12-9)7-11(15)14-5-3-13(2)4-6-14/h8H,3-7H2,1-2H3
InChIKeyWBOVGMAJDXHUCF-UHFFFAOYSA-N
XLogP0.30
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 ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,3-oxazol-5-yl)-1-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(4-methyl-1,3-oxazol-5-yl)-1-(4-methylpiperazin-1-yl)ethanone (CID 110679799) is 2-(4-methyl-1,3-oxazol-5-yl)-1-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(4-methyl-1,3-oxazol-5-yl)-1-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(4-methyl-1,3-oxazol-5-yl)-1-(4-methylpiperazin-1-yl)ethanone is Cc1ncoc1CC(=O)N1CCN(C)CC1.
What is the InChIKey of 2-(4-methyl-1,3-oxazol-5-yl)-1-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is WBOVGMAJDXHUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-9-10(16-8-12-9)7-11(15)14-5-3-13(2)4-6-14/h8H,3-7H2,1-2H3.
What are the key properties of 2-(4-methyl-1,3-oxazol-5-yl)-1-(4-methylpiperazin-1-yl)ethanone?
2-(4-methyl-1,3-oxazol-5-yl)-1-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 223.28 g/mol, XLogP of 0.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,3-oxazol-5-yl)-1-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 110679799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).