N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-6-chloroimidazo[1,2-b]pyridazine-2-carboxamide

C22H21ClN6O3 — CID 59420495

IUPACN-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-6-chloroimidazo[1,2-b]pyridazine-2-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)Cc2ccc(NC(=O)c3cn4nc(Cl)ccc4n3)cc2)no1
InChIInChI=1S/C22H21ClN6O3/c1-22(2,3)16-11-18(28-32-16)26-20(30)10-13-4-6-14(7-5-13)24-21(31)15-12-29-19(25-15)9-8-17(23)27-29/h4-9,11-12H,10H2,1-3H3,(H,24,31)(H,26,28,30)
InChIKeyYJAMNHZBVXDRJH-UHFFFAOYSA-N
MW452.90 g/mol
LogP4.10
Rot. Bonds5

About N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-6-chloroimidazo[1,2-b]pyridazine-2-carboxamide

N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-6-chloroimidazo[1,2-b]pyridazine-2-carboxamide (PubChem CID 59420495) has the molecular formula C22H21ClN6O3 and a molecular weight of 452.90 g/mol. Its IUPAC name is N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-6-chloroimidazo[1,2-b]pyridazine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-6-chloroimidazo[1,2-b]pyridazine-2-carboxamide
PubChem CID59420495
Molecular FormulaC22H21ClN6O3
Molecular Weight452.90 g/mol
Exact Mass452.14
IUPAC NameN-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-6-chloroimidazo[1,2-b]pyridazine-2-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)Cc2ccc(NC(=O)c3cn4nc(Cl)ccc4n3)cc2)no1
InChIInChI=1S/C22H21ClN6O3/c1-22(2,3)16-11-18(28-32-16)26-20(30)10-13-4-6-14(7-5-13)24-21(31)15-12-29-19(25-15)9-8-17(23)27-29/h4-9,11-12H,10H2,1-3H3,(H,24,31)(H,26,28,30)
InChIKeyYJAMNHZBVXDRJH-UHFFFAOYSA-N
XLogP4.10
TPSA114.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.90
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Launch Full Analysis

Related Compounds

4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(4-methylphenyl)benzamide
CID 59420454
4-(aminomethyl)-N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]pyridine-2-carboxamide;hydrochloride
CID 54760815
3-bromo-N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]benzamide
CID 59420609
N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 59420682
N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-5-(piperidin-4-ylmethyl)pyridine-2-carboxamide
CID 54761700
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoyl]phenyl]-6-chloropyridine-2-carboxamide
CID 59420530
N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]cyclohexanecarboxamide
CID 59420472
6-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-b]pyridazine-2-carboxamide
CID 87051162
N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-4-(4-methoxyphenyl)thiophene-2-carboxamide
CID 59420709
N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-5-(1-propan-2-ylpiperidin-4-yl)oxypyridine-2-carboxamide
CID 54760627
N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-4-(1-ethylpiperidin-4-yl)oxypyridine-2-carboxamide
CID 54760630
6-chloro-N-propan-2-ylimidazo[1,2-b]pyridazine-2-carboxamide
CID 58216634

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-6-chloroimidazo[1,2-b]pyridazine-2-carboxamide?
The IUPAC name of N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-6-chloroimidazo[1,2-b]pyridazine-2-carboxamide (CID 59420495) is N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-6-chloroimidazo[1,2-b]pyridazine-2-carboxamide.
What is the SMILES notation for N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-6-chloroimidazo[1,2-b]pyridazine-2-carboxamide?
The canonical SMILES for N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-6-chloroimidazo[1,2-b]pyridazine-2-carboxamide is CC(C)(C)c1cc(NC(=O)Cc2ccc(NC(=O)c3cn4nc(Cl)ccc4n3)cc2)no1.
What is the InChIKey of N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-6-chloroimidazo[1,2-b]pyridazine-2-carboxamide?
The InChIKey is YJAMNHZBVXDRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN6O3/c1-22(2,3)16-11-18(28-32-16)26-20(30)10-13-4-6-14(7-5-13)24-21(31)15-12-29-19(25-15)9-8-17(23)27-29/h4-9,11-12H,10H2,1-3H3,(H,24,31)(H,26,28,30).
What are the key properties of N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-6-chloroimidazo[1,2-b]pyridazine-2-carboxamide?
N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-6-chloroimidazo[1,2-b]pyridazine-2-carboxamide has a molecular weight of 452.90 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-6-chloroimidazo[1,2-b]pyridazine-2-carboxamide is sourced from PubChem (CID 59420495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).