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

C13H21N3O3 — CID 110876205

IUPAC2-ethoxy-1-[4-[(5-methyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]ethanone
SMILESCCOCC(=O)N1CCN(Cc2cnoc2C)CC1
InChIInChI=1S/C13H21N3O3/c1-3-18-10-13(17)16-6-4-15(5-7-16)9-12-8-14-19-11(12)2/h8H,3-7,9-10H2,1-2H3
InChIKeyQYSVBUSBMKIDPK-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.66
Rot. Bonds5

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

2-ethoxy-1-[4-[(5-methyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]ethanone (PubChem CID 110876205) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-ethoxy-1-[4-[(5-methyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-ethoxy-1-[4-[(5-methyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]ethanone
PubChem CID110876205
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name2-ethoxy-1-[4-[(5-methyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]ethanone
SMILESCCOCC(=O)N1CCN(Cc2cnoc2C)CC1
InChIInChI=1S/C13H21N3O3/c1-3-18-10-13(17)16-6-4-15(5-7-16)9-12-8-14-19-11(12)2/h8H,3-7,9-10H2,1-2H3
InChIKeyQYSVBUSBMKIDPK-UHFFFAOYSA-N
XLogP0.66
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[(5-methyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]ethanone
CID 119101550
3-(3-methoxyphenyl)-1-[4-[(5-methyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]propan-1-one
CID 75526922
2-ethoxy-1-(4-propylpiperazin-1-yl)ethanone
CID 60708281
2-ethoxy-1-[4-(2-fluoroethyl)piperazin-1-yl]ethanone
CID 119104737
1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-3-ethoxypropan-1-one
CID 136523311
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-ethoxyethanone
CID 60637524
1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-ethoxyethanone
CID 60712478
1-[4-(4-aminobutyl)piperazin-1-yl]-2-ethoxyethanone
CID 43251793
2-ethoxy-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone
CID 60712299
3-ethoxy-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]propan-1-one
CID 56805285
5-methyl-4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,2-oxazole
CID 121174204
1-(4-tert-butylpiperazin-1-yl)-2-ethoxyethanone
CID 61074490

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-[4-[(5-methyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-ethoxy-1-[4-[(5-methyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]ethanone (CID 110876205) is 2-ethoxy-1-[4-[(5-methyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-ethoxy-1-[4-[(5-methyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-ethoxy-1-[4-[(5-methyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]ethanone is CCOCC(=O)N1CCN(Cc2cnoc2C)CC1.
What is the InChIKey of 2-ethoxy-1-[4-[(5-methyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]ethanone?
The InChIKey is QYSVBUSBMKIDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-3-18-10-13(17)16-6-4-15(5-7-16)9-12-8-14-19-11(12)2/h8H,3-7,9-10H2,1-2H3.
What are the key properties of 2-ethoxy-1-[4-[(5-methyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]ethanone?
2-ethoxy-1-[4-[(5-methyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]ethanone has a molecular weight of 267.33 g/mol, XLogP of 0.66, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-[4-[(5-methyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 110876205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).