N-[[2-(ethoxymethyl)phenyl]methyl]-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide

C26H25N3O3 — CID 37397820

IUPACN-[[2-(ethoxymethyl)phenyl]methyl]-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCCOCc1ccccc1CNC(=O)c1ccc(-c2nnc(-c3ccccc3C)o2)cc1
InChIInChI=1S/C26H25N3O3/c1-3-31-17-22-10-6-5-9-21(22)16-27-24(30)19-12-14-20(15-13-19)25-28-29-26(32-25)23-11-7-4-8-18(23)2/h4-15H,3,16-17H2,1-2H3,(H,27,30)
InChIKeyXIBJAYOLKUUOJF-UHFFFAOYSA-N
MW427.50 g/mol
LogP5.18
Rot. Bonds8

About N-[[2-(ethoxymethyl)phenyl]methyl]-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide

N-[[2-(ethoxymethyl)phenyl]methyl]-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 37397820) has the molecular formula C26H25N3O3 and a molecular weight of 427.50 g/mol. Its IUPAC name is N-[[2-(ethoxymethyl)phenyl]methyl]-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[[2-(ethoxymethyl)phenyl]methyl]-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID37397820
Molecular FormulaC26H25N3O3
Molecular Weight427.50 g/mol
Exact Mass427.19
IUPAC NameN-[[2-(ethoxymethyl)phenyl]methyl]-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCCOCc1ccccc1CNC(=O)c1ccc(-c2nnc(-c3ccccc3C)o2)cc1
InChIInChI=1S/C26H25N3O3/c1-3-31-17-22-10-6-5-9-21(22)16-27-24(30)19-12-14-20(15-13-19)25-28-29-26(32-25)23-11-7-4-8-18(23)2/h4-15H,3,16-17H2,1-2H3,(H,27,30)
InChIKeyXIBJAYOLKUUOJF-UHFFFAOYSA-N
XLogP5.18
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.50
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(ethoxymethyl)phenyl]methyl]-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of N-[[2-(ethoxymethyl)phenyl]methyl]-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide (CID 37397820) is N-[[2-(ethoxymethyl)phenyl]methyl]-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for N-[[2-(ethoxymethyl)phenyl]methyl]-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for N-[[2-(ethoxymethyl)phenyl]methyl]-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide is CCOCc1ccccc1CNC(=O)c1ccc(-c2nnc(-c3ccccc3C)o2)cc1.
What is the InChIKey of N-[[2-(ethoxymethyl)phenyl]methyl]-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is XIBJAYOLKUUOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O3/c1-3-31-17-22-10-6-5-9-21(22)16-27-24(30)19-12-14-20(15-13-19)25-28-29-26(32-25)23-11-7-4-8-18(23)2/h4-15H,3,16-17H2,1-2H3,(H,27,30).
What are the key properties of N-[[2-(ethoxymethyl)phenyl]methyl]-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
N-[[2-(ethoxymethyl)phenyl]methyl]-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 427.50 g/mol, XLogP of 5.18, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(ethoxymethyl)phenyl]methyl]-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 37397820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).