3-[2-oxo-2-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one

C17H24N6O3 — CID 122334428

IUPAC3-[2-oxo-2-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one
SMILESO=C(CN1CCOC1=O)N1CCN(c2ccc(N3CCCC3)nn2)CC1
InChIInChI=1S/C17H24N6O3/c24-16(13-23-11-12-26-17(23)25)22-9-7-21(8-10-22)15-4-3-14(18-19-15)20-5-1-2-6-20/h3-4H,1-2,5-13H2
InChIKeyTXLCOBLLNZRXQF-UHFFFAOYSA-N
MW360.42 g/mol
LogP0.18
Rot. Bonds4

About 3-[2-oxo-2-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one

3-[2-oxo-2-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one (PubChem CID 122334428) has the molecular formula C17H24N6O3 and a molecular weight of 360.42 g/mol. Its IUPAC name is 3-[2-oxo-2-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-oxo-2-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one
PubChem CID122334428
Molecular FormulaC17H24N6O3
Molecular Weight360.42 g/mol
Exact Mass360.19
IUPAC Name3-[2-oxo-2-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one
SMILESO=C(CN1CCOC1=O)N1CCN(c2ccc(N3CCCC3)nn2)CC1
InChIInChI=1S/C17H24N6O3/c24-16(13-23-11-12-26-17(23)25)22-9-7-21(8-10-22)15-4-3-14(18-19-15)20-5-1-2-6-20/h3-4H,1-2,5-13H2
InChIKeyTXLCOBLLNZRXQF-UHFFFAOYSA-N
XLogP0.18
TPSA82.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 50.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[2-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
CID 122350846
3-[2-[4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
CID 122339555
3-[2-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
CID 122343245
3-[2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
CID 122337549
3-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]-1,3-oxazolidin-2-one
CID 62023165
3-[2-[4-(2-methylsulfanylacetyl)-1,4-diazepan-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
CID 137336385
3-[2-[4-(2-cyclopentylacetyl)-1,4-diazepan-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
CID 137339191
3-[2-[4-[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
CID 122348763
3-[2-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
CID 122351143
1-[4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl]-3,3,3-trifluoropropan-1-one
CID 122335029
3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one;2,2,2-trifluoroacetic acid
CID 154887572
3-[2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
CID 119061335

Frequently Asked Questions

What is the IUPAC name of 3-[2-oxo-2-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-oxo-2-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one (CID 122334428) is 3-[2-oxo-2-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-oxo-2-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-oxo-2-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one is O=C(CN1CCOC1=O)N1CCN(c2ccc(N3CCCC3)nn2)CC1.
What is the InChIKey of 3-[2-oxo-2-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one?
The InChIKey is TXLCOBLLNZRXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O3/c24-16(13-23-11-12-26-17(23)25)22-9-7-21(8-10-22)15-4-3-14(18-19-15)20-5-1-2-6-20/h3-4H,1-2,5-13H2.
What are the key properties of 3-[2-oxo-2-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one?
3-[2-oxo-2-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one has a molecular weight of 360.42 g/mol, XLogP of 0.18, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-oxo-2-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 122334428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).