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

C13H21N3O2 — CID 20659897

IUPAC2-(4-ethyl-2-methyl-1,3-oxazol-5-yl)-1-(4-methylpiperazin-1-yl)ethanone
SMILESCCc1nc(C)oc1CC(=O)N1CCN(C)CC1
InChIInChI=1S/C13H21N3O2/c1-4-11-12(18-10(2)14-11)9-13(17)16-7-5-15(3)6-8-16/h4-9H2,1-3H3
InChIKeyKIGSPPPNIHULDO-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.86
Rot. Bonds3

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

2-(4-ethyl-2-methyl-1,3-oxazol-5-yl)-1-(4-methylpiperazin-1-yl)ethanone (PubChem CID 20659897) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-(4-ethyl-2-methyl-1,3-oxazol-5-yl)-1-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-ethyl-2-methyl-1,3-oxazol-5-yl)-1-(4-methylpiperazin-1-yl)ethanone
PubChem CID20659897
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-(4-ethyl-2-methyl-1,3-oxazol-5-yl)-1-(4-methylpiperazin-1-yl)ethanone
SMILESCCc1nc(C)oc1CC(=O)N1CCN(C)CC1
InChIInChI=1S/C13H21N3O2/c1-4-11-12(18-10(2)14-11)9-13(17)16-7-5-15(3)6-8-16/h4-9H2,1-3H3
InChIKeyKIGSPPPNIHULDO-UHFFFAOYSA-N
XLogP0.86
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-2-methyl-1,3-oxazol-5-yl)-1-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(4-ethyl-2-methyl-1,3-oxazol-5-yl)-1-(4-methylpiperazin-1-yl)ethanone (CID 20659897) is 2-(4-ethyl-2-methyl-1,3-oxazol-5-yl)-1-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(4-ethyl-2-methyl-1,3-oxazol-5-yl)-1-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(4-ethyl-2-methyl-1,3-oxazol-5-yl)-1-(4-methylpiperazin-1-yl)ethanone is CCc1nc(C)oc1CC(=O)N1CCN(C)CC1.
What is the InChIKey of 2-(4-ethyl-2-methyl-1,3-oxazol-5-yl)-1-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is KIGSPPPNIHULDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-4-11-12(18-10(2)14-11)9-13(17)16-7-5-15(3)6-8-16/h4-9H2,1-3H3.
What are the key properties of 2-(4-ethyl-2-methyl-1,3-oxazol-5-yl)-1-(4-methylpiperazin-1-yl)ethanone?
2-(4-ethyl-2-methyl-1,3-oxazol-5-yl)-1-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 251.33 g/mol, XLogP of 0.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-2-methyl-1,3-oxazol-5-yl)-1-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 20659897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).