3-methyl-5-[[4-(3-nitroimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]methyl]-1,2-oxazole

C15H17N7O3 — CID 71908110

IUPAC3-methyl-5-[[4-(3-nitroimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]methyl]-1,2-oxazole
SMILESCc1cc(CN2CCN(c3ccc4ncc([N+](=O)[O-])n4n3)CC2)on1
InChIInChI=1S/C15H17N7O3/c1-11-8-12(25-18-11)10-19-4-6-20(7-5-19)14-3-2-13-16-9-15(22(23)24)21(13)17-14/h2-3,8-9H,4-7,10H2,1H3
InChIKeyXIXCOFWANPDVHH-UHFFFAOYSA-N
MW343.35 g/mol
LogP1.26
Rot. Bonds4

About 3-methyl-5-[[4-(3-nitroimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]methyl]-1,2-oxazole

3-methyl-5-[[4-(3-nitroimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]methyl]-1,2-oxazole (PubChem CID 71908110) has the molecular formula C15H17N7O3 and a molecular weight of 343.35 g/mol. Its IUPAC name is 3-methyl-5-[[4-(3-nitroimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name3-methyl-5-[[4-(3-nitroimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]methyl]-1,2-oxazole
PubChem CID71908110
Molecular FormulaC15H17N7O3
Molecular Weight343.35 g/mol
Exact Mass343.14
IUPAC Name3-methyl-5-[[4-(3-nitroimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]methyl]-1,2-oxazole
SMILESCc1cc(CN2CCN(c3ccc4ncc([N+](=O)[O-])n4n3)CC2)on1
InChIInChI=1S/C15H17N7O3/c1-11-8-12(25-18-11)10-19-4-6-20(7-5-19)14-3-2-13-16-9-15(22(23)24)21(13)17-14/h2-3,8-9H,4-7,10H2,1H3
InChIKeyXIXCOFWANPDVHH-UHFFFAOYSA-N
XLogP1.26
TPSA105.84 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[[4-(3-nitroimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]methyl]-1,2-oxazole?
The IUPAC name of 3-methyl-5-[[4-(3-nitroimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]methyl]-1,2-oxazole (CID 71908110) is 3-methyl-5-[[4-(3-nitroimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 3-methyl-5-[[4-(3-nitroimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]methyl]-1,2-oxazole?
The canonical SMILES for 3-methyl-5-[[4-(3-nitroimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]methyl]-1,2-oxazole is Cc1cc(CN2CCN(c3ccc4ncc([N+](=O)[O-])n4n3)CC2)on1.
What is the InChIKey of 3-methyl-5-[[4-(3-nitroimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]methyl]-1,2-oxazole?
The InChIKey is XIXCOFWANPDVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7O3/c1-11-8-12(25-18-11)10-19-4-6-20(7-5-19)14-3-2-13-16-9-15(22(23)24)21(13)17-14/h2-3,8-9H,4-7,10H2,1H3.
What are the key properties of 3-methyl-5-[[4-(3-nitroimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]methyl]-1,2-oxazole?
3-methyl-5-[[4-(3-nitroimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]methyl]-1,2-oxazole has a molecular weight of 343.35 g/mol, XLogP of 1.26, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[[4-(3-nitroimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 71908110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).