3-phenoxy-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]propanamide

C20H21N3O3 — CID 110293659

IUPAC3-phenoxy-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]propanamide
SMILESO=C(CCOc1ccccc1)NCCCc1nc(-c2ccccc2)no1
InChIInChI=1S/C20H21N3O3/c24-18(13-15-25-17-10-5-2-6-11-17)21-14-7-12-19-22-20(23-26-19)16-8-3-1-4-9-16/h1-6,8-11H,7,12-15H2,(H,21,24)
InChIKeyYYOIQLQHIULFDE-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.25
Rot. Bonds9

About 3-phenoxy-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]propanamide

3-phenoxy-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]propanamide (PubChem CID 110293659) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 3-phenoxy-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]propanamide.

Molecular Properties

Compound Name3-phenoxy-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]propanamide
PubChem CID110293659
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name3-phenoxy-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]propanamide
SMILESO=C(CCOc1ccccc1)NCCCc1nc(-c2ccccc2)no1
InChIInChI=1S/C20H21N3O3/c24-18(13-15-25-17-10-5-2-6-11-17)21-14-7-12-19-22-20(23-26-19)16-8-3-1-4-9-16/h1-6,8-11H,7,12-15H2,(H,21,24)
InChIKeyYYOIQLQHIULFDE-UHFFFAOYSA-N
XLogP3.25
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.25
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-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-phenoxypropanamide
CID 110323942
N-(2-phenylethyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanamide
CID 17101225
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-phenoxypropanamide
CID 110323125
1,1-dimethyl-3-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]urea
CID 110293678
N-(4-phenoxybutyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 18120241
N-[3-(3-methylphenoxy)propyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 24525020
N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-phenoxypropanamide
CID 110293601
N-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-phenoxybutanamide
CID 110323943
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[4-(4-methylphenoxy)butyl]propanamide
CID 55751256
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-propylpropanamide
CID 3159509
N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 110323289
N-(2-methoxyethyl)-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100762175

Frequently Asked Questions

What is the IUPAC name of 3-phenoxy-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]propanamide?
The IUPAC name of 3-phenoxy-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]propanamide (CID 110293659) is 3-phenoxy-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]propanamide.
What is the SMILES notation for 3-phenoxy-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]propanamide?
The canonical SMILES for 3-phenoxy-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]propanamide is O=C(CCOc1ccccc1)NCCCc1nc(-c2ccccc2)no1.
What is the InChIKey of 3-phenoxy-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]propanamide?
The InChIKey is YYOIQLQHIULFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c24-18(13-15-25-17-10-5-2-6-11-17)21-14-7-12-19-22-20(23-26-19)16-8-3-1-4-9-16/h1-6,8-11H,7,12-15H2,(H,21,24).
What are the key properties of 3-phenoxy-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]propanamide?
3-phenoxy-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]propanamide has a molecular weight of 351.41 g/mol, XLogP of 3.25, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenoxy-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]propanamide is sourced from PubChem (CID 110293659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).