2,6-dimethoxy-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]benzamide

C20H21N3O4 — CID 110293648

IUPAC2,6-dimethoxy-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]benzamide
SMILESCOc1cccc(OC)c1C(=O)NCCCc1nc(-c2ccccc2)no1
InChIInChI=1S/C20H21N3O4/c1-25-15-10-6-11-16(26-2)18(15)20(24)21-13-7-12-17-22-19(23-27-17)14-8-4-3-5-9-14/h3-6,8-11H,7,12-13H2,1-2H3,(H,21,24)
InChIKeyPKTKQWOOUBYBIH-UHFFFAOYSA-N
MW367.41 g/mol
LogP3.12
Rot. Bonds8

About 2,6-dimethoxy-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]benzamide

2,6-dimethoxy-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]benzamide (PubChem CID 110293648) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is 2,6-dimethoxy-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]benzamide.

Molecular Properties

Compound Name2,6-dimethoxy-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]benzamide
PubChem CID110293648
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Name2,6-dimethoxy-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]benzamide
SMILESCOc1cccc(OC)c1C(=O)NCCCc1nc(-c2ccccc2)no1
InChIInChI=1S/C20H21N3O4/c1-25-15-10-6-11-16(26-2)18(15)20(24)21-13-7-12-17-22-19(23-27-17)14-8-4-3-5-9-14/h3-6,8-11H,7,12-13H2,1-2H3,(H,21,24)
InChIKeyPKTKQWOOUBYBIH-UHFFFAOYSA-N
XLogP3.12
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 53.12
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

2,6-dimethoxy-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 110324222
3-methoxy-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]benzamide
CID 110293645
1,1-dimethyl-3-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]urea
CID 110293678
4-fluoro-N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propyl]benzamide
CID 51064588
N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-2-thiophen-2-ylacetamide
CID 110293651
N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methoxybenzamide
CID 4896437
N-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentyl]-2-methylbenzamide
CID 41365420
3-phenoxy-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]propanamide
CID 110293659
N-(2-methoxyethyl)-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100762175
2-(2-methoxyphenoxy)-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide
CID 39867676
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 9270064
2-(2-methylphenoxy)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 39835008

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]benzamide?
The IUPAC name of 2,6-dimethoxy-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]benzamide (CID 110293648) is 2,6-dimethoxy-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]benzamide.
What is the SMILES notation for 2,6-dimethoxy-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]benzamide?
The canonical SMILES for 2,6-dimethoxy-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]benzamide is COc1cccc(OC)c1C(=O)NCCCc1nc(-c2ccccc2)no1.
What is the InChIKey of 2,6-dimethoxy-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]benzamide?
The InChIKey is PKTKQWOOUBYBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-25-15-10-6-11-16(26-2)18(15)20(24)21-13-7-12-17-22-19(23-27-17)14-8-4-3-5-9-14/h3-6,8-11H,7,12-13H2,1-2H3,(H,21,24).
What are the key properties of 2,6-dimethoxy-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]benzamide?
2,6-dimethoxy-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]benzamide has a molecular weight of 367.41 g/mol, XLogP of 3.12, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]benzamide is sourced from PubChem (CID 110293648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).