1-[(2S)-4-ethyl-2-methylpiperazin-1-yl]-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]ethanone

C14H23N3O3 — CID 164634821

IUPAC1-[(2S)-4-ethyl-2-methylpiperazin-1-yl]-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]ethanone
SMILESCCN1CCN(C(=O)COCc2cc(C)no2)[C@@H](C)C1
InChIInChI=1S/C14H23N3O3/c1-4-16-5-6-17(12(3)8-16)14(18)10-19-9-13-7-11(2)15-20-13/h7,12H,4-6,8-10H2,1-3H3/t12-/m0/s1
InChIKeyHEMLWUURDXCIOV-LBPRGKRZSA-N
MW281.36 g/mol
LogP1.05
Rot. Bonds5

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

1-[(2S)-4-ethyl-2-methylpiperazin-1-yl]-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]ethanone (PubChem CID 164634821) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-[(2S)-4-ethyl-2-methylpiperazin-1-yl]-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]ethanone.

Molecular Properties

Compound Name1-[(2S)-4-ethyl-2-methylpiperazin-1-yl]-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]ethanone
PubChem CID164634821
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name1-[(2S)-4-ethyl-2-methylpiperazin-1-yl]-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]ethanone
SMILESCCN1CCN(C(=O)COCc2cc(C)no2)[C@@H](C)C1
InChIInChI=1S/C14H23N3O3/c1-4-16-5-6-17(12(3)8-16)14(18)10-19-9-13-7-11(2)15-20-13/h7,12H,4-6,8-10H2,1-3H3/t12-/m0/s1
InChIKeyHEMLWUURDXCIOV-LBPRGKRZSA-N
XLogP1.05
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-4-ethyl-2-methylpiperazin-1-yl]-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]ethanone?
The IUPAC name of 1-[(2S)-4-ethyl-2-methylpiperazin-1-yl]-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]ethanone (CID 164634821) is 1-[(2S)-4-ethyl-2-methylpiperazin-1-yl]-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]ethanone.
What is the SMILES notation for 1-[(2S)-4-ethyl-2-methylpiperazin-1-yl]-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]ethanone?
The canonical SMILES for 1-[(2S)-4-ethyl-2-methylpiperazin-1-yl]-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]ethanone is CCN1CCN(C(=O)COCc2cc(C)no2)[C@@H](C)C1.
What is the InChIKey of 1-[(2S)-4-ethyl-2-methylpiperazin-1-yl]-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]ethanone?
The InChIKey is HEMLWUURDXCIOV-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-4-16-5-6-17(12(3)8-16)14(18)10-19-9-13-7-11(2)15-20-13/h7,12H,4-6,8-10H2,1-3H3/t12-/m0/s1.
What are the key properties of 1-[(2S)-4-ethyl-2-methylpiperazin-1-yl]-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]ethanone?
1-[(2S)-4-ethyl-2-methylpiperazin-1-yl]-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]ethanone has a molecular weight of 281.36 g/mol, XLogP of 1.05, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-4-ethyl-2-methylpiperazin-1-yl]-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]ethanone is sourced from PubChem (CID 164634821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).