[3-[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methanol

C18H17N5O4 — CID 42623424

IUPAC[3-[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methanol
SMILESCOCCOc1cc(-c2cn3ncccc3n2)cc(-c2noc(CO)n2)c1
InChIInChI=1S/C18H17N5O4/c1-25-5-6-26-14-8-12(15-10-23-16(20-15)3-2-4-19-23)7-13(9-14)18-21-17(11-24)27-22-18/h2-4,7-10,24H,5-6,11H2,1H3
InChIKeyHEGUKUBMSVANSO-UHFFFAOYSA-N
MW367.37 g/mol
LogP1.96
Rot. Bonds7

About [3-[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methanol

[3-[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methanol (PubChem CID 42623424) has the molecular formula C18H17N5O4 and a molecular weight of 367.37 g/mol. Its IUPAC name is [3-[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methanol.

Molecular Properties

Compound Name[3-[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methanol
PubChem CID42623424
Molecular FormulaC18H17N5O4
Molecular Weight367.37 g/mol
Exact Mass367.13
IUPAC Name[3-[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methanol
SMILESCOCCOc1cc(-c2cn3ncccc3n2)cc(-c2noc(CO)n2)c1
InChIInChI=1S/C18H17N5O4/c1-25-5-6-26-14-8-12(15-10-23-16(20-15)3-2-4-19-23)7-13(9-14)18-21-17(11-24)27-22-18/h2-4,7-10,24H,5-6,11H2,1H3
InChIKeyHEGUKUBMSVANSO-UHFFFAOYSA-N
XLogP1.96
TPSA107.80 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.37
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methanol?
The IUPAC name of [3-[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methanol (CID 42623424) is [3-[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methanol.
What is the SMILES notation for [3-[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methanol?
The canonical SMILES for [3-[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methanol is COCCOc1cc(-c2cn3ncccc3n2)cc(-c2noc(CO)n2)c1.
What is the InChIKey of [3-[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methanol?
The InChIKey is HEGUKUBMSVANSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O4/c1-25-5-6-26-14-8-12(15-10-23-16(20-15)3-2-4-19-23)7-13(9-14)18-21-17(11-24)27-22-18/h2-4,7-10,24H,5-6,11H2,1H3.
What are the key properties of [3-[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methanol?
[3-[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methanol has a molecular weight of 367.37 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methanol is sourced from PubChem (CID 42623424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).