3-[[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-1,3-oxazol-2-yl]amino]butan-2-one

C15H24N4O3 — CID 59493724

IUPAC3-[[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-1,3-oxazol-2-yl]amino]butan-2-one
SMILESCCN1CCN(C(=O)Cc2coc(NC(C)C(C)=O)n2)CC1
InChIInChI=1S/C15H24N4O3/c1-4-18-5-7-19(8-6-18)14(21)9-13-10-22-15(17-13)16-11(2)12(3)20/h10-11H,4-9H2,1-3H3,(H,16,17)
InChIKeyZUBHAFZIXKDPAO-UHFFFAOYSA-N
MW308.38 g/mol
LogP0.77
Rot. Bonds6

About 3-[[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-1,3-oxazol-2-yl]amino]butan-2-one

3-[[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-1,3-oxazol-2-yl]amino]butan-2-one (PubChem CID 59493724) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is 3-[[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-1,3-oxazol-2-yl]amino]butan-2-one.

Molecular Properties

Compound Name3-[[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-1,3-oxazol-2-yl]amino]butan-2-one
PubChem CID59493724
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC Name3-[[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-1,3-oxazol-2-yl]amino]butan-2-one
SMILESCCN1CCN(C(=O)Cc2coc(NC(C)C(C)=O)n2)CC1
InChIInChI=1S/C15H24N4O3/c1-4-18-5-7-19(8-6-18)14(21)9-13-10-22-15(17-13)16-11(2)12(3)20/h10-11H,4-9H2,1-3H3,(H,16,17)
InChIKeyZUBHAFZIXKDPAO-UHFFFAOYSA-N
XLogP0.77
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-1,3-oxazol-2-yl]amino]butan-2-one?
The IUPAC name of 3-[[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-1,3-oxazol-2-yl]amino]butan-2-one (CID 59493724) is 3-[[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-1,3-oxazol-2-yl]amino]butan-2-one.
What is the SMILES notation for 3-[[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-1,3-oxazol-2-yl]amino]butan-2-one?
The canonical SMILES for 3-[[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-1,3-oxazol-2-yl]amino]butan-2-one is CCN1CCN(C(=O)Cc2coc(NC(C)C(C)=O)n2)CC1.
What is the InChIKey of 3-[[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-1,3-oxazol-2-yl]amino]butan-2-one?
The InChIKey is ZUBHAFZIXKDPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-4-18-5-7-19(8-6-18)14(21)9-13-10-22-15(17-13)16-11(2)12(3)20/h10-11H,4-9H2,1-3H3,(H,16,17).
What are the key properties of 3-[[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-1,3-oxazol-2-yl]amino]butan-2-one?
3-[[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-1,3-oxazol-2-yl]amino]butan-2-one has a molecular weight of 308.38 g/mol, XLogP of 0.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-1,3-oxazol-2-yl]amino]butan-2-one is sourced from PubChem (CID 59493724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).