N-benzyl-N-[[2-(3-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-4-methylpyridin-2-amine

C25H25N3O2 — CID 56676050

IUPACN-benzyl-N-[[2-(3-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-4-methylpyridin-2-amine
SMILESCCOc1cccc(-c2nc(CN(Cc3ccccc3)c3cc(C)ccn3)co2)c1
InChIInChI=1S/C25H25N3O2/c1-3-29-23-11-7-10-21(15-23)25-27-22(18-30-25)17-28(16-20-8-5-4-6-9-20)24-14-19(2)12-13-26-24/h4-15,18H,3,16-17H2,1-2H3
InChIKeyIMWZINBJUMBHLA-UHFFFAOYSA-N
MW399.49 g/mol
LogP5.65
Rot. Bonds8

About N-benzyl-N-[[2-(3-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-4-methylpyridin-2-amine

N-benzyl-N-[[2-(3-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-4-methylpyridin-2-amine (PubChem CID 56676050) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is N-benzyl-N-[[2-(3-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-4-methylpyridin-2-amine.

Molecular Properties

Compound NameN-benzyl-N-[[2-(3-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-4-methylpyridin-2-amine
PubChem CID56676050
Molecular FormulaC25H25N3O2
Molecular Weight399.49 g/mol
Exact Mass399.19
IUPAC NameN-benzyl-N-[[2-(3-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-4-methylpyridin-2-amine
SMILESCCOc1cccc(-c2nc(CN(Cc3ccccc3)c3cc(C)ccn3)co2)c1
InChIInChI=1S/C25H25N3O2/c1-3-29-23-11-7-10-21(15-23)25-27-22(18-30-25)17-28(16-20-8-5-4-6-9-20)24-14-19(2)12-13-26-24/h4-15,18H,3,16-17H2,1-2H3
InChIKeyIMWZINBJUMBHLA-UHFFFAOYSA-N
XLogP5.65
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.49
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[[2-(3-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-4-methylpyridin-2-amine?
The IUPAC name of N-benzyl-N-[[2-(3-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-4-methylpyridin-2-amine (CID 56676050) is N-benzyl-N-[[2-(3-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-4-methylpyridin-2-amine.
What is the SMILES notation for N-benzyl-N-[[2-(3-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-4-methylpyridin-2-amine?
The canonical SMILES for N-benzyl-N-[[2-(3-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-4-methylpyridin-2-amine is CCOc1cccc(-c2nc(CN(Cc3ccccc3)c3cc(C)ccn3)co2)c1.
What is the InChIKey of N-benzyl-N-[[2-(3-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-4-methylpyridin-2-amine?
The InChIKey is IMWZINBJUMBHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2/c1-3-29-23-11-7-10-21(15-23)25-27-22(18-30-25)17-28(16-20-8-5-4-6-9-20)24-14-19(2)12-13-26-24/h4-15,18H,3,16-17H2,1-2H3.
What are the key properties of N-benzyl-N-[[2-(3-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-4-methylpyridin-2-amine?
N-benzyl-N-[[2-(3-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-4-methylpyridin-2-amine has a molecular weight of 399.49 g/mol, XLogP of 5.65, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[[2-(3-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-4-methylpyridin-2-amine is sourced from PubChem (CID 56676050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).