N-pentyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide

C20H21N3O2 — CID 24605190

IUPACN-pentyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCCCCCNC(=O)c1ccc(-c2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C20H21N3O2/c1-2-3-7-14-21-18(24)15-10-12-17(13-11-15)20-23-22-19(25-20)16-8-5-4-6-9-16/h4-6,8-13H,2-3,7,14H2,1H3,(H,21,24)
InChIKeyAAHMJEXANLDVCP-UHFFFAOYSA-N
MW335.41 g/mol
LogP4.32
Rot. Bonds7

About N-pentyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide

N-pentyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide (PubChem CID 24605190) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-pentyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide.

Molecular Properties

Compound NameN-pentyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
PubChem CID24605190
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-pentyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCCCCCNC(=O)c1ccc(-c2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C20H21N3O2/c1-2-3-7-14-21-18(24)15-10-12-17(13-11-15)20-23-22-19(25-20)16-8-5-4-6-9-16/h4-6,8-13H,2-3,7,14H2,1H3,(H,21,24)
InChIKeyAAHMJEXANLDVCP-UHFFFAOYSA-N
XLogP4.32
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-pentyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methoxyethyl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 24605172
N-butyl-4-phenylbenzamide
CID 3637649
N-[2-(N-methylanilino)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 24607474
N-[2-[di(propan-2-yl)amino]ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 17480200
2-[[4-[1-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]pentylamino]benzoyl]amino]ethanesulfonic acid
CID 146236840
3-[[4-[1-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]pentylamino]benzoyl]amino]propanoic acid
CID 146250309
N-(4-methoxybutyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 55724605
4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(3-phenoxypropyl)benzamide
CID 33048681
N-(3-ethoxypropyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 17493586
N-pentyl-2,3-diphenylquinoxaline-6-carboxamide
CID 43853055
N-(3-acetamidopropyl)-4-phenylbenzamide
CID 38450168
CID 131885807
CID 131885807

Frequently Asked Questions

What is the IUPAC name of N-pentyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide?
The IUPAC name of N-pentyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide (CID 24605190) is N-pentyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide.
What is the SMILES notation for N-pentyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide?
The canonical SMILES for N-pentyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide is CCCCCNC(=O)c1ccc(-c2nnc(-c3ccccc3)o2)cc1.
What is the InChIKey of N-pentyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide?
The InChIKey is AAHMJEXANLDVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-2-3-7-14-21-18(24)15-10-12-17(13-11-15)20-23-22-19(25-20)16-8-5-4-6-9-16/h4-6,8-13H,2-3,7,14H2,1H3,(H,21,24).
What are the key properties of N-pentyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide?
N-pentyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide has a molecular weight of 335.41 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide is sourced from PubChem (CID 24605190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).