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

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Launch Full Analysis

Related Compounds

2-[[1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one
CID 126926812
4-(piperidin-1-ylmethyl)-5-propan-2-yl-1,3-oxazole
CID 159283548
2-[2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one
CID 126913470
2-[2-[4-(5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-3-ylmethyl)piperazin-1-yl]ethyl]pyridazin-3-one
CID 126913465
2-[2-[4-[(1-cyclopropylimidazol-2-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one
CID 126913460
4-[[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-5-propan-2-yl-1,3-oxazole
CID 163349540
5-propan-2-yl-4-[(3-pyridin-2-ylpyrrolidin-1-yl)methyl]-1,3-oxazole
CID 171326675
2-[2-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethyl]pyridazin-3-one
CID 126913367
6-fluoro-3-[[4-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]methyl]-1,2-benzoxazole
CID 171998206
cyclobutyl-[4-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 171324101
2-[2-[4-(4-methylquinolin-2-yl)piperazin-1-yl]ethyl]pyridazin-3-one
CID 126913484
6-(3,5-dimethylpyrazol-1-yl)-2-[2-[4-[(5-methyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one
CID 126916489

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).