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

C25H23N3O3 — CID 33048681

IUPAC4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(3-phenoxypropyl)benzamide
SMILESCc1cccc(-c2nnc(-c3ccc(C(=O)NCCCOc4ccccc4)cc3)o2)c1
InChIInChI=1S/C25H23N3O3/c1-18-7-5-8-21(17-18)25-28-27-24(31-25)20-13-11-19(12-14-20)23(29)26-15-6-16-30-22-9-3-2-4-10-22/h2-5,7-14,17H,6,15-16H2,1H3,(H,26,29)
InChIKeyALFDSZOGWVAIPS-UHFFFAOYSA-N
MW413.48 g/mol
LogP4.91
Rot. Bonds8

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

4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(3-phenoxypropyl)benzamide (PubChem CID 33048681) has the molecular formula C25H23N3O3 and a molecular weight of 413.48 g/mol. Its IUPAC name is 4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(3-phenoxypropyl)benzamide.

Molecular Properties

Compound Name4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(3-phenoxypropyl)benzamide
PubChem CID33048681
Molecular FormulaC25H23N3O3
Molecular Weight413.48 g/mol
Exact Mass413.17
IUPAC Name4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(3-phenoxypropyl)benzamide
SMILESCc1cccc(-c2nnc(-c3ccc(C(=O)NCCCOc4ccccc4)cc3)o2)c1
InChIInChI=1S/C25H23N3O3/c1-18-7-5-8-21(17-18)25-28-27-24(31-25)20-13-11-19(12-14-20)23(29)26-15-6-16-30-22-9-3-2-4-10-22/h2-5,7-14,17H,6,15-16H2,1H3,(H,26,29)
InChIKeyALFDSZOGWVAIPS-UHFFFAOYSA-N
XLogP4.91
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 54.91
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-[2-(2-methoxyphenoxy)ethyl]-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 46558814
2-chloro-N-[2-[[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]amino]ethyl]benzamide
CID 55659481
N-(2-methoxyethyl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 24605172
N-pentyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 24605190
2-(4-butoxyphenyl)-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 56697618
N-(3-methylbutan-2-yl)-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 43048902
N-[2-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-2-phenoxyacetamide
CID 110321314
N-[3-(dimethylamino)propyl]-4-[5-(3-phenoxypropoxymethyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 21108975
4-methyl-N-[2-[4-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)phenoxy]ethyl]benzamide
CID 170019136
N-[3-(dimethylamino)propyl]-4-[5-(2-phenoxyethoxysulfanylmethyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 21108971
N-(3,5-dimethylphenyl)-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 30708165
N-(3-ethoxypropyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 17493586

Frequently Asked Questions

What is the IUPAC name of 4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(3-phenoxypropyl)benzamide?
The IUPAC name of 4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(3-phenoxypropyl)benzamide (CID 33048681) is 4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(3-phenoxypropyl)benzamide.
What is the SMILES notation for 4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(3-phenoxypropyl)benzamide?
The canonical SMILES for 4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(3-phenoxypropyl)benzamide is Cc1cccc(-c2nnc(-c3ccc(C(=O)NCCCOc4ccccc4)cc3)o2)c1.
What is the InChIKey of 4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(3-phenoxypropyl)benzamide?
The InChIKey is ALFDSZOGWVAIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3/c1-18-7-5-8-21(17-18)25-28-27-24(31-25)20-13-11-19(12-14-20)23(29)26-15-6-16-30-22-9-3-2-4-10-22/h2-5,7-14,17H,6,15-16H2,1H3,(H,26,29).
What are the key properties of 4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(3-phenoxypropyl)benzamide?
4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(3-phenoxypropyl)benzamide has a molecular weight of 413.48 g/mol, XLogP of 4.91, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(3-phenoxypropyl)benzamide is sourced from PubChem (CID 33048681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).