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

C22H21N5O2 — CID 51328577

IUPACN-(3-imidazol-1-ylpropyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCc1ccccc1-c1nnc(-c2ccc(C(=O)NCCCn3ccnc3)cc2)o1
InChIInChI=1S/C22H21N5O2/c1-16-5-2-3-6-19(16)22-26-25-21(29-22)18-9-7-17(8-10-18)20(28)24-11-4-13-27-14-12-23-15-27/h2-3,5-10,12,14-15H,4,11,13H2,1H3,(H,24,28)
InChIKeyIBBLRARBTLEGPQ-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.73
Rot. Bonds7

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

N-(3-imidazol-1-ylpropyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 51328577) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID51328577
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC NameN-(3-imidazol-1-ylpropyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCc1ccccc1-c1nnc(-c2ccc(C(=O)NCCCn3ccnc3)cc2)o1
InChIInChI=1S/C22H21N5O2/c1-16-5-2-3-6-19(16)22-26-25-21(29-22)18-9-7-17(8-10-18)20(28)24-11-4-13-27-14-12-23-15-27/h2-3,5-10,12,14-15H,4,11,13H2,1H3,(H,24,28)
InChIKeyIBBLRARBTLEGPQ-UHFFFAOYSA-N
XLogP3.73
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(3-indol-1-ylpropyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 24607685
N-(4-methoxybutyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 55724605
N-(3-ethoxypropyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 17493586
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)-1-methylpyridin-1-ium-4-carboxamide
CID 39847983
4-fluoro-N-(3-imidazol-1-ylpropyl)benzamide chloride
CID 53351812
4-amino-N-(3-imidazol-1-ylpropyl)-3-methylbenzamide
CID 28993545
N-(3-imidazol-1-ylpropyl)-3-iodo-4-methylbenzamide
CID 118203012
4-fluoro-N-(3-imidazol-1-ylpropyl)-3-methylbenzamide
CID 63212783
N-(3-imidazol-1-ylpropyl)-4-methoxybenzamide;hydrochloride
CID 6603491
N-(3-imidazol-1-ylpropyl)-2,3-dimethylbenzamide
CID 3274730

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide (CID 51328577) is N-(3-imidazol-1-ylpropyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide is Cc1ccccc1-c1nnc(-c2ccc(C(=O)NCCCn3ccnc3)cc2)o1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is IBBLRARBTLEGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2/c1-16-5-2-3-6-19(16)22-26-25-21(29-22)18-9-7-17(8-10-18)20(28)24-11-4-13-27-14-12-23-15-27/h2-3,5-10,12,14-15H,4,11,13H2,1H3,(H,24,28).
What are the key properties of N-(3-imidazol-1-ylpropyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
N-(3-imidazol-1-ylpropyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 387.44 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 51328577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).