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

C21H23N3O3 — CID 17493586

IUPACN-(3-ethoxypropyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCCOCCCNC(=O)c1ccc(-c2nnc(-c3ccccc3C)o2)cc1
InChIInChI=1S/C21H23N3O3/c1-3-26-14-6-13-22-19(25)16-9-11-17(12-10-16)20-23-24-21(27-20)18-8-5-4-7-15(18)2/h4-5,7-12H,3,6,13-14H2,1-2H3,(H,22,25)
InChIKeyLRKBSJLHJCLXRO-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.87
Rot. Bonds8

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

N-(3-ethoxypropyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 17493586) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID17493586
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC NameN-(3-ethoxypropyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCCOCCCNC(=O)c1ccc(-c2nnc(-c3ccccc3C)o2)cc1
InChIInChI=1S/C21H23N3O3/c1-3-26-14-6-13-22-19(25)16-9-11-17(12-10-16)20-23-24-21(27-20)18-8-5-4-7-15(18)2/h4-5,7-12H,3,6,13-14H2,1-2H3,(H,22,25)
InChIKeyLRKBSJLHJCLXRO-UHFFFAOYSA-N
XLogP3.87
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methoxybutyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 55724605
N-[[2-(ethoxymethyl)phenyl]methyl]-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 37397820
N-(3-methylbutyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 26022369
N-[2-(diethylamino)-2-oxoethyl]-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 48503696
N-(3-imidazol-1-ylpropyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 51328577
N-(3-indol-1-ylpropyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 24607685
N-pentyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 24605190
N-(1-methoxypropan-2-yl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 18289547
N-cycloheptyl-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 26002230
N-(2-methoxyethyl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 24605172
4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 55753809
4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(3-phenoxypropyl)benzamide
CID 33048681

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of N-(3-ethoxypropyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide (CID 17493586) is N-(3-ethoxypropyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for N-(3-ethoxypropyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for N-(3-ethoxypropyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide is CCOCCCNC(=O)c1ccc(-c2nnc(-c3ccccc3C)o2)cc1.
What is the InChIKey of N-(3-ethoxypropyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is LRKBSJLHJCLXRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-3-26-14-6-13-22-19(25)16-9-11-17(12-10-16)20-23-24-21(27-20)18-8-5-4-7-15(18)2/h4-5,7-12H,3,6,13-14H2,1-2H3,(H,22,25).
What are the key properties of N-(3-ethoxypropyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
N-(3-ethoxypropyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 365.43 g/mol, XLogP of 3.87, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 17493586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).