2-[2-[4-(1,3-oxazol-2-yl)piperazin-1-yl]ethyl]-6-pyridin-3-ylpyridazin-3-one

C18H20N6O2 — CID 126915696

IUPAC2-[2-[4-(1,3-oxazol-2-yl)piperazin-1-yl]ethyl]-6-pyridin-3-ylpyridazin-3-one
SMILESO=c1ccc(-c2cccnc2)nn1CCN1CCN(c2ncco2)CC1
InChIInChI=1S/C18H20N6O2/c25-17-4-3-16(15-2-1-5-19-14-15)21-24(17)12-9-22-7-10-23(11-8-22)18-20-6-13-26-18/h1-6,13-14H,7-12H2
InChIKeyOOTSUGLCTBVCQU-UHFFFAOYSA-N
MW352.40 g/mol
LogP1.12
Rot. Bonds5

About 2-[2-[4-(1,3-oxazol-2-yl)piperazin-1-yl]ethyl]-6-pyridin-3-ylpyridazin-3-one

2-[2-[4-(1,3-oxazol-2-yl)piperazin-1-yl]ethyl]-6-pyridin-3-ylpyridazin-3-one (PubChem CID 126915696) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is 2-[2-[4-(1,3-oxazol-2-yl)piperazin-1-yl]ethyl]-6-pyridin-3-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[2-[4-(1,3-oxazol-2-yl)piperazin-1-yl]ethyl]-6-pyridin-3-ylpyridazin-3-one
PubChem CID126915696
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC Name2-[2-[4-(1,3-oxazol-2-yl)piperazin-1-yl]ethyl]-6-pyridin-3-ylpyridazin-3-one
SMILESO=c1ccc(-c2cccnc2)nn1CCN1CCN(c2ncco2)CC1
InChIInChI=1S/C18H20N6O2/c25-17-4-3-16(15-2-1-5-19-14-15)21-24(17)12-9-22-7-10-23(11-8-22)18-20-6-13-26-18/h1-6,13-14H,7-12H2
InChIKeyOOTSUGLCTBVCQU-UHFFFAOYSA-N
XLogP1.12
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(1,3-oxazol-2-yl)piperazin-1-yl]ethyl]-6-pyridin-3-ylpyridazin-3-one?
The IUPAC name of 2-[2-[4-(1,3-oxazol-2-yl)piperazin-1-yl]ethyl]-6-pyridin-3-ylpyridazin-3-one (CID 126915696) is 2-[2-[4-(1,3-oxazol-2-yl)piperazin-1-yl]ethyl]-6-pyridin-3-ylpyridazin-3-one.
What is the SMILES notation for 2-[2-[4-(1,3-oxazol-2-yl)piperazin-1-yl]ethyl]-6-pyridin-3-ylpyridazin-3-one?
The canonical SMILES for 2-[2-[4-(1,3-oxazol-2-yl)piperazin-1-yl]ethyl]-6-pyridin-3-ylpyridazin-3-one is O=c1ccc(-c2cccnc2)nn1CCN1CCN(c2ncco2)CC1.
What is the InChIKey of 2-[2-[4-(1,3-oxazol-2-yl)piperazin-1-yl]ethyl]-6-pyridin-3-ylpyridazin-3-one?
The InChIKey is OOTSUGLCTBVCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2/c25-17-4-3-16(15-2-1-5-19-14-15)21-24(17)12-9-22-7-10-23(11-8-22)18-20-6-13-26-18/h1-6,13-14H,7-12H2.
What are the key properties of 2-[2-[4-(1,3-oxazol-2-yl)piperazin-1-yl]ethyl]-6-pyridin-3-ylpyridazin-3-one?
2-[2-[4-(1,3-oxazol-2-yl)piperazin-1-yl]ethyl]-6-pyridin-3-ylpyridazin-3-one has a molecular weight of 352.40 g/mol, XLogP of 1.12, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(1,3-oxazol-2-yl)piperazin-1-yl]ethyl]-6-pyridin-3-ylpyridazin-3-one is sourced from PubChem (CID 126915696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).