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

C22H22N4O — CID 56883486

IUPACN-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1-[3-(pyrazol-1-ylmethyl)phenyl]methanamine
SMILESCN(Cc1cccc(Cn2cccn2)c1)Cc1cc(-c2ccccc2)no1
InChIInChI=1S/C22H22N4O/c1-25(17-21-14-22(24-27-21)20-9-3-2-4-10-20)15-18-7-5-8-19(13-18)16-26-12-6-11-23-26/h2-14H,15-17H2,1H3
InChIKeyLYQTUOZEYAMNAH-UHFFFAOYSA-N
MW358.45 g/mol
LogP4.22
Rot. Bonds7

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

N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1-[3-(pyrazol-1-ylmethyl)phenyl]methanamine (PubChem CID 56883486) has the molecular formula C22H22N4O and a molecular weight of 358.45 g/mol. Its IUPAC name is N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1-[3-(pyrazol-1-ylmethyl)phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1-[3-(pyrazol-1-ylmethyl)phenyl]methanamine
PubChem CID56883486
Molecular FormulaC22H22N4O
Molecular Weight358.45 g/mol
Exact Mass358.18
IUPAC NameN-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1-[3-(pyrazol-1-ylmethyl)phenyl]methanamine
SMILESCN(Cc1cccc(Cn2cccn2)c1)Cc1cc(-c2ccccc2)no1
InChIInChI=1S/C22H22N4O/c1-25(17-21-14-22(24-27-21)20-9-3-2-4-10-20)15-18-7-5-8-19(13-18)16-26-12-6-11-23-26/h2-14H,15-17H2,1H3
InChIKeyLYQTUOZEYAMNAH-UHFFFAOYSA-N
XLogP4.22
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1-[3-(pyrazol-1-ylmethyl)phenyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1-[3-(pyrazol-1-ylmethyl)phenyl]methanamine?
The IUPAC name of N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1-[3-(pyrazol-1-ylmethyl)phenyl]methanamine (CID 56883486) is N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1-[3-(pyrazol-1-ylmethyl)phenyl]methanamine.
What is the SMILES notation for N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1-[3-(pyrazol-1-ylmethyl)phenyl]methanamine?
The canonical SMILES for N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1-[3-(pyrazol-1-ylmethyl)phenyl]methanamine is CN(Cc1cccc(Cn2cccn2)c1)Cc1cc(-c2ccccc2)no1.
What is the InChIKey of N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1-[3-(pyrazol-1-ylmethyl)phenyl]methanamine?
The InChIKey is LYQTUOZEYAMNAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O/c1-25(17-21-14-22(24-27-21)20-9-3-2-4-10-20)15-18-7-5-8-19(13-18)16-26-12-6-11-23-26/h2-14H,15-17H2,1H3.
What are the key properties of N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1-[3-(pyrazol-1-ylmethyl)phenyl]methanamine?
N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1-[3-(pyrazol-1-ylmethyl)phenyl]methanamine has a molecular weight of 358.45 g/mol, XLogP of 4.22, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1-[3-(pyrazol-1-ylmethyl)phenyl]methanamine is sourced from PubChem (CID 56883486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).