N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1-[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine

C17H25N5O — CID 95764526

About N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1-[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine

N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1-[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine (PubChem CID 95764526) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1-[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine.

Molecular Properties

• Compound Name: N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1-[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine
• PubChem CID: 95764526
• Molecular Formula: C17H25N5O
• Molecular Weight: 315.42 g/mol
• Exact Mass: 315.21
• IUPAC Name: N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1-[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine
• SMILES: CC(C)(C)c1cnc(CNC[C@H]2CCCN2c2cccnn2)o1
• InChI: InChI=1S/C17H25N5O/c1-17(2,3)14-11-19-16(23-14)12-18-10-13-6-5-9-22(13)15-7-4-8-20-21-15/h4,7-8,11,13,18H,5-6,9-10,12H2,1-3H3/t13-/m1/s1
• InChIKey: GLCODCLMEKGLSD-CYBMUJFWSA-N
• XLogP: 2.52
• TPSA: 67.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	315.42
LogP ≤ 5	2.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1-[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine?

The IUPAC name of N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1-[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine (CID 95764526) is N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1-[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine.

What is the SMILES notation for N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1-[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine?

The canonical SMILES for N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1-[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine is CC(C)(C)c1cnc(CNC[C@H]2CCCN2c2cccnn2)o1.

What is the InChIKey of N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1-[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine?

The InChIKey is GLCODCLMEKGLSD-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H25N5O/c1-17(2,3)14-11-19-16(23-14)12-18-10-13-6-5-9-22(13)15-7-4-8-20-21-15/h4,7-8,11,13,18H,5-6,9-10,12H2,1-3H3/t13-/m1/s1.

What are the key properties of N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1-[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine?

N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1-[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine has a molecular weight of 315.42 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1-[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine is sourced from PubChem (CID 95764526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).