3-[[benzyl(1,2-oxazol-3-ylmethyl)amino]methyl]benzamide;hydroiodide

C19H20IN3O2 — CID 154853394

IUPAC3-[[benzyl(1,2-oxazol-3-ylmethyl)amino]methyl]benzamide;hydroiodide
SMILESI.NC(=O)c1cccc(CN(Cc2ccccc2)Cc2ccon2)c1
InChIInChI=1S/C19H19N3O2.HI/c20-19(23)17-8-4-7-16(11-17)13-22(14-18-9-10-24-21-18)12-15-5-2-1-3-6-15;/h1-11H,12-14H2,(H2,20,23);1H
InChIKeyXPCLXYRCMRMBPJ-UHFFFAOYSA-N
MW449.29 g/mol
LogP3.59
Rot. Bonds7

About 3-[[benzyl(1,2-oxazol-3-ylmethyl)amino]methyl]benzamide;hydroiodide

3-[[benzyl(1,2-oxazol-3-ylmethyl)amino]methyl]benzamide;hydroiodide (PubChem CID 154853394) has the molecular formula C19H20IN3O2 and a molecular weight of 449.29 g/mol. Its IUPAC name is 3-[[benzyl(1,2-oxazol-3-ylmethyl)amino]methyl]benzamide;hydroiodide.

Molecular Properties

Compound Name3-[[benzyl(1,2-oxazol-3-ylmethyl)amino]methyl]benzamide;hydroiodide
PubChem CID154853394
Molecular FormulaC19H20IN3O2
Molecular Weight449.29 g/mol
Exact Mass449.06
IUPAC Name3-[[benzyl(1,2-oxazol-3-ylmethyl)amino]methyl]benzamide;hydroiodide
SMILESI.NC(=O)c1cccc(CN(Cc2ccccc2)Cc2ccon2)c1
InChIInChI=1S/C19H19N3O2.HI/c20-19(23)17-8-4-7-16(11-17)13-22(14-18-9-10-24-21-18)12-15-5-2-1-3-6-15;/h1-11H,12-14H2,(H2,20,23);1H
InChIKeyXPCLXYRCMRMBPJ-UHFFFAOYSA-N
XLogP3.59
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.29
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-[[benzyl(1,2-oxazol-3-ylmethyl)amino]methyl]benzamide;hydroiodide?
The IUPAC name of 3-[[benzyl(1,2-oxazol-3-ylmethyl)amino]methyl]benzamide;hydroiodide (CID 154853394) is 3-[[benzyl(1,2-oxazol-3-ylmethyl)amino]methyl]benzamide;hydroiodide.
What is the SMILES notation for 3-[[benzyl(1,2-oxazol-3-ylmethyl)amino]methyl]benzamide;hydroiodide?
The canonical SMILES for 3-[[benzyl(1,2-oxazol-3-ylmethyl)amino]methyl]benzamide;hydroiodide is I.NC(=O)c1cccc(CN(Cc2ccccc2)Cc2ccon2)c1.
What is the InChIKey of 3-[[benzyl(1,2-oxazol-3-ylmethyl)amino]methyl]benzamide;hydroiodide?
The InChIKey is XPCLXYRCMRMBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2.HI/c20-19(23)17-8-4-7-16(11-17)13-22(14-18-9-10-24-21-18)12-15-5-2-1-3-6-15;/h1-11H,12-14H2,(H2,20,23);1H.
What are the key properties of 3-[[benzyl(1,2-oxazol-3-ylmethyl)amino]methyl]benzamide;hydroiodide?
3-[[benzyl(1,2-oxazol-3-ylmethyl)amino]methyl]benzamide;hydroiodide has a molecular weight of 449.29 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[benzyl(1,2-oxazol-3-ylmethyl)amino]methyl]benzamide;hydroiodide is sourced from PubChem (CID 154853394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).