3-(4-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)imidazo[1,2-b]pyridazine-2-carboxamide

C17H12ClN5O2 — CID 126700183

IUPAC3-(4-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)imidazo[1,2-b]pyridazine-2-carboxamide
SMILESCc1cc(NC(=O)c2nc3cccnn3c2-c2ccc(Cl)cc2)no1
InChIInChI=1S/C17H12ClN5O2/c1-10-9-13(22-25-10)20-17(24)15-16(11-4-6-12(18)7-5-11)23-14(21-15)3-2-8-19-23/h2-9H,1H3,(H,20,22,24)
InChIKeyWFHCBSIMFWEHOP-UHFFFAOYSA-N
MW353.77 g/mol
LogP3.60
Rot. Bonds3

About 3-(4-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)imidazo[1,2-b]pyridazine-2-carboxamide

3-(4-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)imidazo[1,2-b]pyridazine-2-carboxamide (PubChem CID 126700183) has the molecular formula C17H12ClN5O2 and a molecular weight of 353.77 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)imidazo[1,2-b]pyridazine-2-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)imidazo[1,2-b]pyridazine-2-carboxamide
PubChem CID126700183
Molecular FormulaC17H12ClN5O2
Molecular Weight353.77 g/mol
Exact Mass353.07
IUPAC Name3-(4-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)imidazo[1,2-b]pyridazine-2-carboxamide
SMILESCc1cc(NC(=O)c2nc3cccnn3c2-c2ccc(Cl)cc2)no1
InChIInChI=1S/C17H12ClN5O2/c1-10-9-13(22-25-10)20-17(24)15-16(11-4-6-12(18)7-5-11)23-14(21-15)3-2-8-19-23/h2-9H,1H3,(H,20,22,24)
InChIKeyWFHCBSIMFWEHOP-UHFFFAOYSA-N
XLogP3.60
TPSA85.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.77
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)imidazo[1,2-b]pyridazine-2-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)imidazo[1,2-b]pyridazine-2-carboxamide (CID 126700183) is 3-(4-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)imidazo[1,2-b]pyridazine-2-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)imidazo[1,2-b]pyridazine-2-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)imidazo[1,2-b]pyridazine-2-carboxamide is Cc1cc(NC(=O)c2nc3cccnn3c2-c2ccc(Cl)cc2)no1.
What is the InChIKey of 3-(4-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)imidazo[1,2-b]pyridazine-2-carboxamide?
The InChIKey is WFHCBSIMFWEHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN5O2/c1-10-9-13(22-25-10)20-17(24)15-16(11-4-6-12(18)7-5-11)23-14(21-15)3-2-8-19-23/h2-9H,1H3,(H,20,22,24).
What are the key properties of 3-(4-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)imidazo[1,2-b]pyridazine-2-carboxamide?
3-(4-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)imidazo[1,2-b]pyridazine-2-carboxamide has a molecular weight of 353.77 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)imidazo[1,2-b]pyridazine-2-carboxamide is sourced from PubChem (CID 126700183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).