N-(3-methoxyphenyl)-3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide

C21H23N3O6 — CID 3159529

IUPACN-(3-methoxyphenyl)-3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCOc1cccc(NC(=O)CCc2nc(-c3cc(OC)c(OC)c(OC)c3)no2)c1
InChIInChI=1S/C21H23N3O6/c1-26-15-7-5-6-14(12-15)22-18(25)8-9-19-23-21(24-30-19)13-10-16(27-2)20(29-4)17(11-13)28-3/h5-7,10-12H,8-9H2,1-4H3,(H,22,25)
InChIKeyYWSPDYLXIAMOLO-UHFFFAOYSA-N
MW413.43 g/mol
LogP3.34
Rot. Bonds9

About N-(3-methoxyphenyl)-3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide

N-(3-methoxyphenyl)-3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 3159529) has the molecular formula C21H23N3O6 and a molecular weight of 413.43 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
PubChem CID3159529
Molecular FormulaC21H23N3O6
Molecular Weight413.43 g/mol
Exact Mass413.16
IUPAC NameN-(3-methoxyphenyl)-3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCOc1cccc(NC(=O)CCc2nc(-c3cc(OC)c(OC)c(OC)c3)no2)c1
InChIInChI=1S/C21H23N3O6/c1-26-15-7-5-6-14(12-15)22-18(25)8-9-19-23-21(24-30-19)13-10-16(27-2)20(29-4)17(11-13)28-3/h5-7,10-12H,8-9H2,1-4H3,(H,22,25)
InChIKeyYWSPDYLXIAMOLO-UHFFFAOYSA-N
XLogP3.34
TPSA104.94 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.43
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(3-methoxyphenyl)-3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide 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-(3-chlorophenyl)-3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 2026139
N-(3-fluorophenyl)-3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 3340996
N-(3-methoxyphenyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 51233747
3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide
CID 2041528
N-(2-methoxyphenyl)-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 2000634
N-(3-methoxyphenyl)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 3160339
N-(3-hydroxyphenyl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 17354549
N-(3-methoxyphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 15990412
N-(2-fluorophenyl)-3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 3750282
3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylphenyl)propanamide
CID 3723670
N-[3-(cyanomethoxy)phenyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 55751971
N-(2,3-dimethylquinoxalin-6-yl)-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 46980027

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The IUPAC name of N-(3-methoxyphenyl)-3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide (CID 3159529) is N-(3-methoxyphenyl)-3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide.
What is the SMILES notation for N-(3-methoxyphenyl)-3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The canonical SMILES for N-(3-methoxyphenyl)-3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide is COc1cccc(NC(=O)CCc2nc(-c3cc(OC)c(OC)c(OC)c3)no2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The InChIKey is YWSPDYLXIAMOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O6/c1-26-15-7-5-6-14(12-15)22-18(25)8-9-19-23-21(24-30-19)13-10-16(27-2)20(29-4)17(11-13)28-3/h5-7,10-12H,8-9H2,1-4H3,(H,22,25).
What are the key properties of N-(3-methoxyphenyl)-3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
N-(3-methoxyphenyl)-3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 413.43 g/mol, XLogP of 3.34, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 3159529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).