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

C23H22N4O — CID 56682850

IUPACN-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
SMILESCc1cccc(-c2nc(CN(Cc3ccccn3)Cc3ccccn3)co2)c1
InChIInChI=1S/C23H22N4O/c1-18-7-6-8-19(13-18)23-26-22(17-28-23)16-27(14-20-9-2-4-11-24-20)15-21-10-3-5-12-25-21/h2-13,17H,14-16H2,1H3
InChIKeyAJKYTGUZIOAFIF-UHFFFAOYSA-N
MW370.46 g/mol
LogP4.64
Rot. Bonds7

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

N-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine (PubChem CID 56682850) has the molecular formula C23H22N4O and a molecular weight of 370.46 g/mol. Its IUPAC name is N-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine.

Molecular Properties

Compound NameN-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
PubChem CID56682850
Molecular FormulaC23H22N4O
Molecular Weight370.46 g/mol
Exact Mass370.18
IUPAC NameN-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
SMILESCc1cccc(-c2nc(CN(Cc3ccccn3)Cc3ccccn3)co2)c1
InChIInChI=1S/C23H22N4O/c1-18-7-6-8-19(13-18)23-26-22(17-28-23)16-27(14-20-9-2-4-11-24-20)15-21-10-3-5-12-25-21/h2-13,17H,14-16H2,1H3
InChIKeyAJKYTGUZIOAFIF-UHFFFAOYSA-N
XLogP4.64
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine?
The IUPAC name of N-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine (CID 56682850) is N-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine.
What is the SMILES notation for N-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine?
The canonical SMILES for N-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine is Cc1cccc(-c2nc(CN(Cc3ccccn3)Cc3ccccn3)co2)c1.
What is the InChIKey of N-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine?
The InChIKey is AJKYTGUZIOAFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O/c1-18-7-6-8-19(13-18)23-26-22(17-28-23)16-27(14-20-9-2-4-11-24-20)15-21-10-3-5-12-25-21/h2-13,17H,14-16H2,1H3.
What are the key properties of N-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine?
N-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine has a molecular weight of 370.46 g/mol, XLogP of 4.64, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine is sourced from PubChem (CID 56682850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).