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

C23H22N4O2 — CID 56669247

IUPACN-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
SMILESCOc1ccc(-c2nc(CN(Cc3ccccn3)Cc3ccccn3)co2)cc1
InChIInChI=1S/C23H22N4O2/c1-28-22-10-8-18(9-11-22)23-26-21(17-29-23)16-27(14-19-6-2-4-12-24-19)15-20-7-3-5-13-25-20/h2-13,17H,14-16H2,1H3
InChIKeyZKMFEZVFEPPXHD-UHFFFAOYSA-N
MW386.46 g/mol
LogP4.34
Rot. Bonds8

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

N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine (PubChem CID 56669247) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine.

Molecular Properties

Compound NameN-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
PubChem CID56669247
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC NameN-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
SMILESCOc1ccc(-c2nc(CN(Cc3ccccn3)Cc3ccccn3)co2)cc1
InChIInChI=1S/C23H22N4O2/c1-28-22-10-8-18(9-11-22)23-26-21(17-29-23)16-27(14-19-6-2-4-12-24-19)15-20-7-3-5-13-25-20/h2-13,17H,14-16H2,1H3
InChIKeyZKMFEZVFEPPXHD-UHFFFAOYSA-N
XLogP4.34
TPSA64.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine?
The IUPAC name of N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine (CID 56669247) is N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine.
What is the SMILES notation for N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine?
The canonical SMILES for N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine is COc1ccc(-c2nc(CN(Cc3ccccn3)Cc3ccccn3)co2)cc1.
What is the InChIKey of N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine?
The InChIKey is ZKMFEZVFEPPXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c1-28-22-10-8-18(9-11-22)23-26-21(17-29-23)16-27(14-19-6-2-4-12-24-19)15-20-7-3-5-13-25-20/h2-13,17H,14-16H2,1H3.
What are the key properties of N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine?
N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine has a molecular weight of 386.46 g/mol, XLogP of 4.34, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine is sourced from PubChem (CID 56669247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).