1,2-oxazol-5-yl-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone

C17H16N6O2 — CID 121058281

IUPAC1,2-oxazol-5-yl-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
SMILESO=C(c1ccno1)N1CCN(c2ccc(-c3ccncc3)nn2)CC1
InChIInChI=1S/C17H16N6O2/c24-17(15-5-8-19-25-15)23-11-9-22(10-12-23)16-2-1-14(20-21-16)13-3-6-18-7-4-13/h1-8H,9-12H2
InChIKeyGVPNRGPWIJGUPI-UHFFFAOYSA-N
MW336.36 g/mol
LogP1.49
Rot. Bonds3

About 1,2-oxazol-5-yl-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone

1,2-oxazol-5-yl-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone (PubChem CID 121058281) has the molecular formula C17H16N6O2 and a molecular weight of 336.36 g/mol. Its IUPAC name is 1,2-oxazol-5-yl-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name1,2-oxazol-5-yl-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
PubChem CID121058281
Molecular FormulaC17H16N6O2
Molecular Weight336.36 g/mol
Exact Mass336.13
IUPAC Name1,2-oxazol-5-yl-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
SMILESO=C(c1ccno1)N1CCN(c2ccc(-c3ccncc3)nn2)CC1
InChIInChI=1S/C17H16N6O2/c24-17(15-5-8-19-25-15)23-11-9-22(10-12-23)16-2-1-14(20-21-16)13-3-6-18-7-4-13/h1-8H,9-12H2
InChIKeyGVPNRGPWIJGUPI-UHFFFAOYSA-N
XLogP1.49
TPSA88.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 122335476
2-phenyl-1-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 121058240
[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 122339198
(3-phenyl-1H-pyrazol-5-yl)-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 121058315
5-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 121058350
[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]-(3,4,5-triethoxyphenyl)methanone
CID 121058331
2-(1,2-benzoxazol-3-yl)-1-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 121058265
pyridin-4-yl-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 121058477
2-phenoxy-1-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one
CID 121058263
(1-methylsulfonylpiperidin-4-yl)-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 121058275
[4-[8-(4-fluorophenyl)quinolin-2-yl]piperazin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 24733590
2-[4-(1,2-oxazole-5-carbonyl)piperazin-1-yl]propanoic acid
CID 62317773

Frequently Asked Questions

What is the IUPAC name of 1,2-oxazol-5-yl-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The IUPAC name of 1,2-oxazol-5-yl-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone (CID 121058281) is 1,2-oxazol-5-yl-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone.
What is the SMILES notation for 1,2-oxazol-5-yl-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The canonical SMILES for 1,2-oxazol-5-yl-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone is O=C(c1ccno1)N1CCN(c2ccc(-c3ccncc3)nn2)CC1.
What is the InChIKey of 1,2-oxazol-5-yl-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The InChIKey is GVPNRGPWIJGUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O2/c24-17(15-5-8-19-25-15)23-11-9-22(10-12-23)16-2-1-14(20-21-16)13-3-6-18-7-4-13/h1-8H,9-12H2.
What are the key properties of 1,2-oxazol-5-yl-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone?
1,2-oxazol-5-yl-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone has a molecular weight of 336.36 g/mol, XLogP of 1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-oxazol-5-yl-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 121058281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).