N-(1,3-benzoxazol-2-ylmethyl)-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine

C17H19N5O — CID 56778183

IUPACN-(1,3-benzoxazol-2-ylmethyl)-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine
SMILESc1cnnc(N2CCCC2CNCc2nc3ccccc3o2)c1
InChIInChI=1S/C17H19N5O/c1-2-7-15-14(6-1)20-17(23-15)12-18-11-13-5-4-10-22(13)16-8-3-9-19-21-16/h1-3,6-9,13,18H,4-5,10-12H2
InChIKeyOZKNBQCMJLGMIM-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.38
Rot. Bonds5

About N-(1,3-benzoxazol-2-ylmethyl)-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine

N-(1,3-benzoxazol-2-ylmethyl)-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine (PubChem CID 56778183) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is N-(1,3-benzoxazol-2-ylmethyl)-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine.

Molecular Properties

Compound NameN-(1,3-benzoxazol-2-ylmethyl)-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine
PubChem CID56778183
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC NameN-(1,3-benzoxazol-2-ylmethyl)-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine
SMILESc1cnnc(N2CCCC2CNCc2nc3ccccc3o2)c1
InChIInChI=1S/C17H19N5O/c1-2-7-15-14(6-1)20-17(23-15)12-18-11-13-5-4-10-22(13)16-8-3-9-19-21-16/h1-3,6-9,13,18H,4-5,10-12H2
InChIKeyOZKNBQCMJLGMIM-UHFFFAOYSA-N
XLogP2.38
TPSA67.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzoxazol-2-ylmethyl)-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine?
The IUPAC name of N-(1,3-benzoxazol-2-ylmethyl)-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine (CID 56778183) is N-(1,3-benzoxazol-2-ylmethyl)-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine.
What is the SMILES notation for N-(1,3-benzoxazol-2-ylmethyl)-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine?
The canonical SMILES for N-(1,3-benzoxazol-2-ylmethyl)-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine is c1cnnc(N2CCCC2CNCc2nc3ccccc3o2)c1.
What is the InChIKey of N-(1,3-benzoxazol-2-ylmethyl)-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine?
The InChIKey is OZKNBQCMJLGMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-2-7-15-14(6-1)20-17(23-15)12-18-11-13-5-4-10-22(13)16-8-3-9-19-21-16/h1-3,6-9,13,18H,4-5,10-12H2.
What are the key properties of N-(1,3-benzoxazol-2-ylmethyl)-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine?
N-(1,3-benzoxazol-2-ylmethyl)-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine has a molecular weight of 309.37 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzoxazol-2-ylmethyl)-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine is sourced from PubChem (CID 56778183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).