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

C20H23N5O — CID 56778227

IUPACN-methyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine
SMILESCN(Cc1ncc(-c2ccccc2)o1)CC1CCCN1c1cccnn1
InChIInChI=1S/C20H23N5O/c1-24(14-17-9-6-12-25(17)19-10-5-11-22-23-19)15-20-21-13-18(26-20)16-7-3-2-4-8-16/h2-5,7-8,10-11,13,17H,6,9,12,14-15H2,1H3
InChIKeyIKVNVQTVSMPGGK-UHFFFAOYSA-N
MW349.44 g/mol
LogP3.23
Rot. Bonds6

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

N-methyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine (PubChem CID 56778227) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is N-methyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine.

Molecular Properties

Compound NameN-methyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine
PubChem CID56778227
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC NameN-methyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine
SMILESCN(Cc1ncc(-c2ccccc2)o1)CC1CCCN1c1cccnn1
InChIInChI=1S/C20H23N5O/c1-24(14-17-9-6-12-25(17)19-10-5-11-22-23-19)15-20-21-13-18(26-20)16-7-3-2-4-8-16/h2-5,7-8,10-11,13,17H,6,9,12,14-15H2,1H3
InChIKeyIKVNVQTVSMPGGK-UHFFFAOYSA-N
XLogP3.23
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine?
The IUPAC name of N-methyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine (CID 56778227) is N-methyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine.
What is the SMILES notation for N-methyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine?
The canonical SMILES for N-methyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine is CN(Cc1ncc(-c2ccccc2)o1)CC1CCCN1c1cccnn1.
What is the InChIKey of N-methyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine?
The InChIKey is IKVNVQTVSMPGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-24(14-17-9-6-12-25(17)19-10-5-11-22-23-19)15-20-21-13-18(26-20)16-7-3-2-4-8-16/h2-5,7-8,10-11,13,17H,6,9,12,14-15H2,1H3.
What are the key properties of N-methyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine?
N-methyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine has a molecular weight of 349.44 g/mol, XLogP of 3.23, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine is sourced from PubChem (CID 56778227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).