2-[2-[4-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one

C17H25N5O2 — CID 126913451

IUPAC2-[2-[4-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one
SMILESCC(C)c1ocnc1CN1CCN(CCn2ncccc2=O)CC1
InChIInChI=1S/C17H25N5O2/c1-14(2)17-15(18-13-24-17)12-21-8-6-20(7-9-21)10-11-22-16(23)4-3-5-19-22/h3-5,13-14H,6-12H2,1-2H3
InChIKeyZXWXLDQJCCWAOI-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.17
Rot. Bonds6

About 2-[2-[4-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one

2-[2-[4-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one (PubChem CID 126913451) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 2-[2-[4-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[2-[4-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one
PubChem CID126913451
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name2-[2-[4-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one
SMILESCC(C)c1ocnc1CN1CCN(CCn2ncccc2=O)CC1
InChIInChI=1S/C17H25N5O2/c1-14(2)17-15(18-13-24-17)12-21-8-6-20(7-9-21)10-11-22-16(23)4-3-5-19-22/h3-5,13-14H,6-12H2,1-2H3
InChIKeyZXWXLDQJCCWAOI-UHFFFAOYSA-N
XLogP1.17
TPSA67.40 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[2-[4-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one?
The IUPAC name of 2-[2-[4-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one (CID 126913451) is 2-[2-[4-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one.
What is the SMILES notation for 2-[2-[4-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one?
The canonical SMILES for 2-[2-[4-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one is CC(C)c1ocnc1CN1CCN(CCn2ncccc2=O)CC1.
What is the InChIKey of 2-[2-[4-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one?
The InChIKey is ZXWXLDQJCCWAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-14(2)17-15(18-13-24-17)12-21-8-6-20(7-9-21)10-11-22-16(23)4-3-5-19-22/h3-5,13-14H,6-12H2,1-2H3.
What are the key properties of 2-[2-[4-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one?
2-[2-[4-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one has a molecular weight of 331.42 g/mol, XLogP of 1.17, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one is sourced from PubChem (CID 126913451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).