1-(4-methylpiperazin-1-yl)-2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]ethanone

C15H19N5O3 — CID 75538377

IUPAC1-(4-methylpiperazin-1-yl)-2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]ethanone
SMILESCN1CCN(C(=O)COCc2nc(-c3ccncc3)no2)CC1
InChIInChI=1S/C15H19N5O3/c1-19-6-8-20(9-7-19)14(21)11-22-10-13-17-15(18-23-13)12-2-4-16-5-3-12/h2-5H,6-11H2,1H3
InChIKeyRVZGEWKVYFFWAQ-UHFFFAOYSA-N
MW317.35 g/mol
LogP0.42
Rot. Bonds5

About 1-(4-methylpiperazin-1-yl)-2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]ethanone

1-(4-methylpiperazin-1-yl)-2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]ethanone (PubChem CID 75538377) has the molecular formula C15H19N5O3 and a molecular weight of 317.35 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)-2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]ethanone.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)-2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]ethanone
PubChem CID75538377
Molecular FormulaC15H19N5O3
Molecular Weight317.35 g/mol
Exact Mass317.15
IUPAC Name1-(4-methylpiperazin-1-yl)-2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]ethanone
SMILESCN1CCN(C(=O)COCc2nc(-c3ccncc3)no2)CC1
InChIInChI=1S/C15H19N5O3/c1-19-6-8-20(9-7-19)14(21)11-22-10-13-17-15(18-23-13)12-2-4-16-5-3-12/h2-5H,6-11H2,1H3
InChIKeyRVZGEWKVYFFWAQ-UHFFFAOYSA-N
XLogP0.42
TPSA84.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazin-1-yl)-2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]ethanone?
The IUPAC name of 1-(4-methylpiperazin-1-yl)-2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]ethanone (CID 75538377) is 1-(4-methylpiperazin-1-yl)-2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]ethanone.
What is the SMILES notation for 1-(4-methylpiperazin-1-yl)-2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]ethanone?
The canonical SMILES for 1-(4-methylpiperazin-1-yl)-2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]ethanone is CN1CCN(C(=O)COCc2nc(-c3ccncc3)no2)CC1.
What is the InChIKey of 1-(4-methylpiperazin-1-yl)-2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]ethanone?
The InChIKey is RVZGEWKVYFFWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O3/c1-19-6-8-20(9-7-19)14(21)11-22-10-13-17-15(18-23-13)12-2-4-16-5-3-12/h2-5H,6-11H2,1H3.
What are the key properties of 1-(4-methylpiperazin-1-yl)-2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]ethanone?
1-(4-methylpiperazin-1-yl)-2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]ethanone has a molecular weight of 317.35 g/mol, XLogP of 0.42, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperazin-1-yl)-2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]ethanone is sourced from PubChem (CID 75538377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).