N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-phenoxypropanamide

C19H19N3O5 — CID 4075839

IUPACN-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-phenoxypropanamide
SMILESCOc1cc(OC)cc(-c2nnc(NC(=O)CCOc3ccccc3)o2)c1
InChIInChI=1S/C19H19N3O5/c1-24-15-10-13(11-16(12-15)25-2)18-21-22-19(27-18)20-17(23)8-9-26-14-6-4-3-5-7-14/h3-7,10-12H,8-9H2,1-2H3,(H,20,22,23)
InChIKeyKRIJYLOWKLYDRU-UHFFFAOYSA-N
MW369.38 g/mol
LogP3.16
Rot. Bonds8

About N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-phenoxypropanamide

N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-phenoxypropanamide (PubChem CID 4075839) has the molecular formula C19H19N3O5 and a molecular weight of 369.38 g/mol. Its IUPAC name is N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-phenoxypropanamide.

Molecular Properties

Compound NameN-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-phenoxypropanamide
PubChem CID4075839
Molecular FormulaC19H19N3O5
Molecular Weight369.38 g/mol
Exact Mass369.13
IUPAC NameN-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-phenoxypropanamide
SMILESCOc1cc(OC)cc(-c2nnc(NC(=O)CCOc3ccccc3)o2)c1
InChIInChI=1S/C19H19N3O5/c1-24-15-10-13(11-16(12-15)25-2)18-21-22-19(27-18)20-17(23)8-9-26-14-6-4-3-5-7-14/h3-7,10-12H,8-9H2,1-2H3,(H,20,22,23)
InChIKeyKRIJYLOWKLYDRU-UHFFFAOYSA-N
XLogP3.16
TPSA95.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-phenoxypropanamide
CID 5094803
N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 8719068
[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-(4-methoxyphenoxy)acetate
CID 7846670
N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-phenoxypropanamide
CID 110725650
N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-ethylsulfonylphenyl)acetamide
CID 41145994
N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-3-phenoxypropanamide
CID 43973201
N-[2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3-phenoxypropanamide
CID 110321939
[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate
CID 8665066
N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-(dimethylamino)benzamide
CID 3251865
3-butoxy-N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 4525703
4-oxo-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]butanoic acid
CID 91622666
N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-(4-methoxyphenyl)sulfanylbutanamide
CID 41086523

Frequently Asked Questions

What is the IUPAC name of N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-phenoxypropanamide?
The IUPAC name of N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-phenoxypropanamide (CID 4075839) is N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-phenoxypropanamide.
What is the SMILES notation for N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-phenoxypropanamide?
The canonical SMILES for N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-phenoxypropanamide is COc1cc(OC)cc(-c2nnc(NC(=O)CCOc3ccccc3)o2)c1.
What is the InChIKey of N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-phenoxypropanamide?
The InChIKey is KRIJYLOWKLYDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5/c1-24-15-10-13(11-16(12-15)25-2)18-21-22-19(27-18)20-17(23)8-9-26-14-6-4-3-5-7-14/h3-7,10-12H,8-9H2,1-2H3,(H,20,22,23).
What are the key properties of N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-phenoxypropanamide?
N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-phenoxypropanamide has a molecular weight of 369.38 g/mol, XLogP of 3.16, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-phenoxypropanamide is sourced from PubChem (CID 4075839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).