N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3-imidazo[1,2-b]pyridazin-6-yloxyphenyl)acetamide

C21H21N5O3 — CID 118712386

IUPACN-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3-imidazo[1,2-b]pyridazin-6-yloxyphenyl)acetamide
SMILESCC(C)(C)c1cc(NC(=O)Cc2cccc(Oc3ccc4nccn4n3)c2)no1
InChIInChI=1S/C21H21N5O3/c1-21(2,3)16-13-17(25-29-16)23-19(27)12-14-5-4-6-15(11-14)28-20-8-7-18-22-9-10-26(18)24-20/h4-11,13H,12H2,1-3H3,(H,23,25,27)
InChIKeyVRNLJQHAJGRGJN-UHFFFAOYSA-N
MW391.43 g/mol
LogP3.99
Rot. Bonds5

About N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3-imidazo[1,2-b]pyridazin-6-yloxyphenyl)acetamide

N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3-imidazo[1,2-b]pyridazin-6-yloxyphenyl)acetamide (PubChem CID 118712386) has the molecular formula C21H21N5O3 and a molecular weight of 391.43 g/mol. Its IUPAC name is N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3-imidazo[1,2-b]pyridazin-6-yloxyphenyl)acetamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3-imidazo[1,2-b]pyridazin-6-yloxyphenyl)acetamide
PubChem CID118712386
Molecular FormulaC21H21N5O3
Molecular Weight391.43 g/mol
Exact Mass391.16
IUPAC NameN-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3-imidazo[1,2-b]pyridazin-6-yloxyphenyl)acetamide
SMILESCC(C)(C)c1cc(NC(=O)Cc2cccc(Oc3ccc4nccn4n3)c2)no1
InChIInChI=1S/C21H21N5O3/c1-21(2,3)16-13-17(25-29-16)23-19(27)12-14-5-4-6-15(11-14)28-20-8-7-18-22-9-10-26(18)24-20/h4-11,13H,12H2,1-3H3,(H,23,25,27)
InChIKeyVRNLJQHAJGRGJN-UHFFFAOYSA-N
XLogP3.99
TPSA94.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3-imidazo[1,2-b]pyridazin-6-yloxyphenyl)acetamide?
The IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3-imidazo[1,2-b]pyridazin-6-yloxyphenyl)acetamide (CID 118712386) is N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3-imidazo[1,2-b]pyridazin-6-yloxyphenyl)acetamide.
What is the SMILES notation for N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3-imidazo[1,2-b]pyridazin-6-yloxyphenyl)acetamide?
The canonical SMILES for N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3-imidazo[1,2-b]pyridazin-6-yloxyphenyl)acetamide is CC(C)(C)c1cc(NC(=O)Cc2cccc(Oc3ccc4nccn4n3)c2)no1.
What is the InChIKey of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3-imidazo[1,2-b]pyridazin-6-yloxyphenyl)acetamide?
The InChIKey is VRNLJQHAJGRGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O3/c1-21(2,3)16-13-17(25-29-16)23-19(27)12-14-5-4-6-15(11-14)28-20-8-7-18-22-9-10-26(18)24-20/h4-11,13H,12H2,1-3H3,(H,23,25,27).
What are the key properties of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3-imidazo[1,2-b]pyridazin-6-yloxyphenyl)acetamide?
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3-imidazo[1,2-b]pyridazin-6-yloxyphenyl)acetamide has a molecular weight of 391.43 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3-imidazo[1,2-b]pyridazin-6-yloxyphenyl)acetamide is sourced from PubChem (CID 118712386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).