N-(3-propan-2-yl-1,2-oxazol-5-yl)-2-[[(3R)-1-pyridazin-3-ylpiperidin-3-yl]amino]acetamide

C17H24N6O2 — CID 95344749

IUPACN-(3-propan-2-yl-1,2-oxazol-5-yl)-2-[[(3R)-1-pyridazin-3-ylpiperidin-3-yl]amino]acetamide
SMILESCC(C)c1cc(NC(=O)CN[C@@H]2CCCN(c3cccnn3)C2)on1
InChIInChI=1S/C17H24N6O2/c1-12(2)14-9-17(25-22-14)20-16(24)10-18-13-5-4-8-23(11-13)15-6-3-7-19-21-15/h3,6-7,9,12-13,18H,4-5,8,10-11H2,1-2H3,(H,20,24)/t13-/m1/s1
InChIKeyREKHWUQUKMMMOG-CYBMUJFWSA-N
MW344.42 g/mol
LogP1.79
Rot. Bonds6

About N-(3-propan-2-yl-1,2-oxazol-5-yl)-2-[[(3R)-1-pyridazin-3-ylpiperidin-3-yl]amino]acetamide

N-(3-propan-2-yl-1,2-oxazol-5-yl)-2-[[(3R)-1-pyridazin-3-ylpiperidin-3-yl]amino]acetamide (PubChem CID 95344749) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is N-(3-propan-2-yl-1,2-oxazol-5-yl)-2-[[(3R)-1-pyridazin-3-ylpiperidin-3-yl]amino]acetamide.

Molecular Properties

Compound NameN-(3-propan-2-yl-1,2-oxazol-5-yl)-2-[[(3R)-1-pyridazin-3-ylpiperidin-3-yl]amino]acetamide
PubChem CID95344749
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC NameN-(3-propan-2-yl-1,2-oxazol-5-yl)-2-[[(3R)-1-pyridazin-3-ylpiperidin-3-yl]amino]acetamide
SMILESCC(C)c1cc(NC(=O)CN[C@@H]2CCCN(c3cccnn3)C2)on1
InChIInChI=1S/C17H24N6O2/c1-12(2)14-9-17(25-22-14)20-16(24)10-18-13-5-4-8-23(11-13)15-6-3-7-19-21-15/h3,6-7,9,12-13,18H,4-5,8,10-11H2,1-2H3,(H,20,24)/t13-/m1/s1
InChIKeyREKHWUQUKMMMOG-CYBMUJFWSA-N
XLogP1.79
TPSA96.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(3-propan-2-yl-1,2-oxazol-5-yl)-2-[[(3R)-1-pyridazin-3-ylpiperidin-3-yl]amino]acetamide with MolForge

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Related Compounds

N-(5-methyl-1,2-oxazol-3-yl)-3-[[(3R)-1-pyridazin-3-ylpiperidin-3-yl]amino]propanamide
CID 95337777
2-[[(3R)-1-pyridazin-3-ylpiperidin-3-yl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 95349268
(3S)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 95321236
N-[(3R)-2-oxoazepan-3-yl]-2-[[(3S)-1-pyridazin-3-ylpiperidin-3-yl]amino]acetamide
CID 95599997
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[[(3S)-1-pyridazin-3-ylpiperidin-3-yl]amino]acetamide
CID 95336593
3-amino-N-(1-pyridazin-3-ylpiperidin-3-yl)butanamide;hydrochloride
CID 120872944
(3R)-N-(2-methylsulfonylethyl)-1-pyridazin-3-ylpiperidin-3-amine
CID 95331275
(3S)-N-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 95327503
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 154747903
(2S)-N-[[(2S)-oxolan-2-yl]methyl]-2-[[(3S)-1-pyridazin-3-ylpiperidin-3-yl]amino]propanamide
CID 98765693
N-[(3,4-dichlorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 119127375
(1R)-1-(4-fluorophenyl)-2-[[(3R)-1-pyridazin-3-ylpiperidin-3-yl]amino]ethanol
CID 95338968

Frequently Asked Questions

What is the IUPAC name of N-(3-propan-2-yl-1,2-oxazol-5-yl)-2-[[(3R)-1-pyridazin-3-ylpiperidin-3-yl]amino]acetamide?
The IUPAC name of N-(3-propan-2-yl-1,2-oxazol-5-yl)-2-[[(3R)-1-pyridazin-3-ylpiperidin-3-yl]amino]acetamide (CID 95344749) is N-(3-propan-2-yl-1,2-oxazol-5-yl)-2-[[(3R)-1-pyridazin-3-ylpiperidin-3-yl]amino]acetamide.
What is the SMILES notation for N-(3-propan-2-yl-1,2-oxazol-5-yl)-2-[[(3R)-1-pyridazin-3-ylpiperidin-3-yl]amino]acetamide?
The canonical SMILES for N-(3-propan-2-yl-1,2-oxazol-5-yl)-2-[[(3R)-1-pyridazin-3-ylpiperidin-3-yl]amino]acetamide is CC(C)c1cc(NC(=O)CN[C@@H]2CCCN(c3cccnn3)C2)on1.
What is the InChIKey of N-(3-propan-2-yl-1,2-oxazol-5-yl)-2-[[(3R)-1-pyridazin-3-ylpiperidin-3-yl]amino]acetamide?
The InChIKey is REKHWUQUKMMMOG-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-12(2)14-9-17(25-22-14)20-16(24)10-18-13-5-4-8-23(11-13)15-6-3-7-19-21-15/h3,6-7,9,12-13,18H,4-5,8,10-11H2,1-2H3,(H,20,24)/t13-/m1/s1.
What are the key properties of N-(3-propan-2-yl-1,2-oxazol-5-yl)-2-[[(3R)-1-pyridazin-3-ylpiperidin-3-yl]amino]acetamide?
N-(3-propan-2-yl-1,2-oxazol-5-yl)-2-[[(3R)-1-pyridazin-3-ylpiperidin-3-yl]amino]acetamide has a molecular weight of 344.42 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-propan-2-yl-1,2-oxazol-5-yl)-2-[[(3R)-1-pyridazin-3-ylpiperidin-3-yl]amino]acetamide is sourced from PubChem (CID 95344749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).