N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]-1-(4-pyridin-3-ylphenyl)methanamine

C22H20N4O — CID 56898566

IUPACN-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]-1-(4-pyridin-3-ylphenyl)methanamine
SMILESCN(Cc1ccc(-c2cccnc2)cc1)Cc1cc(-c2ccncc2)no1
InChIInChI=1S/C22H20N4O/c1-26(16-21-13-22(25-27-21)19-8-11-23-12-9-19)15-17-4-6-18(7-5-17)20-3-2-10-24-14-20/h2-14H,15-16H2,1H3
InChIKeyWIHZDKGUZDCKGW-UHFFFAOYSA-N
MW356.43 g/mol
LogP4.43
Rot. Bonds6

About N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]-1-(4-pyridin-3-ylphenyl)methanamine

N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]-1-(4-pyridin-3-ylphenyl)methanamine (PubChem CID 56898566) has the molecular formula C22H20N4O and a molecular weight of 356.43 g/mol. Its IUPAC name is N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]-1-(4-pyridin-3-ylphenyl)methanamine.

Molecular Properties

Compound NameN-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]-1-(4-pyridin-3-ylphenyl)methanamine
PubChem CID56898566
Molecular FormulaC22H20N4O
Molecular Weight356.43 g/mol
Exact Mass356.16
IUPAC NameN-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]-1-(4-pyridin-3-ylphenyl)methanamine
SMILESCN(Cc1ccc(-c2cccnc2)cc1)Cc1cc(-c2ccncc2)no1
InChIInChI=1S/C22H20N4O/c1-26(16-21-13-22(25-27-21)19-8-11-23-12-9-19)15-17-4-6-18(7-5-17)20-3-2-10-24-14-20/h2-14H,15-16H2,1H3
InChIKeyWIHZDKGUZDCKGW-UHFFFAOYSA-N
XLogP4.43
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]-1-(4-pyridin-3-ylphenyl)methanamine?
The IUPAC name of N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]-1-(4-pyridin-3-ylphenyl)methanamine (CID 56898566) is N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]-1-(4-pyridin-3-ylphenyl)methanamine.
What is the SMILES notation for N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]-1-(4-pyridin-3-ylphenyl)methanamine?
The canonical SMILES for N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]-1-(4-pyridin-3-ylphenyl)methanamine is CN(Cc1ccc(-c2cccnc2)cc1)Cc1cc(-c2ccncc2)no1.
What is the InChIKey of N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]-1-(4-pyridin-3-ylphenyl)methanamine?
The InChIKey is WIHZDKGUZDCKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O/c1-26(16-21-13-22(25-27-21)19-8-11-23-12-9-19)15-17-4-6-18(7-5-17)20-3-2-10-24-14-20/h2-14H,15-16H2,1H3.
What are the key properties of N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]-1-(4-pyridin-3-ylphenyl)methanamine?
N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]-1-(4-pyridin-3-ylphenyl)methanamine has a molecular weight of 356.43 g/mol, XLogP of 4.43, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]-1-(4-pyridin-3-ylphenyl)methanamine is sourced from PubChem (CID 56898566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).