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

C20H21N3O5 — CID 7646628

IUPACN-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-propoxybenzamide
SMILESCCCOc1ccccc1C(=O)Nc1nonc1-c1ccc(OC)c(OC)c1
InChIInChI=1S/C20H21N3O5/c1-4-11-27-15-8-6-5-7-14(15)20(24)21-19-18(22-28-23-19)13-9-10-16(25-2)17(12-13)26-3/h5-10,12H,4,11H2,1-3H3,(H,21,23,24)
InChIKeyCMBUTBNHCUKSRM-UHFFFAOYSA-N
MW383.40 g/mol
LogP3.79
Rot. Bonds8

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

N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-propoxybenzamide (PubChem CID 7646628) has the molecular formula C20H21N3O5 and a molecular weight of 383.40 g/mol. Its IUPAC name is N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-propoxybenzamide.

Molecular Properties

Compound NameN-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-propoxybenzamide
PubChem CID7646628
Molecular FormulaC20H21N3O5
Molecular Weight383.40 g/mol
Exact Mass383.15
IUPAC NameN-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-propoxybenzamide
SMILESCCCOc1ccccc1C(=O)Nc1nonc1-c1ccc(OC)c(OC)c1
InChIInChI=1S/C20H21N3O5/c1-4-11-27-15-8-6-5-7-14(15)20(24)21-19-18(22-28-23-19)13-9-10-16(25-2)17(12-13)26-3/h5-10,12H,4,11H2,1-3H3,(H,21,23,24)
InChIKeyCMBUTBNHCUKSRM-UHFFFAOYSA-N
XLogP3.79
TPSA95.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-propoxybenzamide 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-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-ethoxybenzamide
CID 7711063
benzene;tris(N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-methoxybenzamide)
CID 175653128
N-[4-(4-chlorophenyl)-1,2,5-oxadiazol-3-yl]-2-propoxybenzamide
CID 7677392
2-propoxy-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,5-oxadiazol-3-yl]benzamide
CID 19244658
2-butoxy-N-[4-(4-fluorophenyl)-1,2,5-oxadiazol-3-yl]benzamide
CID 7709712
N-[4-(4-fluorophenyl)-1,2,5-oxadiazol-3-yl]-2-methoxybenzamide
CID 7710203
N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-4-fluorobenzamide
CID 7680603
(E)-N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-3-phenylprop-2-enamide
CID 7693268
5-bromo-N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-propylsulfanylpyrimidine-4-carboxamide
CID 35181609
benzene;bis(2-(4-chlorophenoxy)-N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]acetamide)
CID 175653131
(2S)-N-[4-(4-ethoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-(2-methoxyphenoxy)propanamide
CID 35129395
N-[3-(3,4-dimethoxyphenyl)-5-ethyl-1H-pyrazol-4-yl]-2-methoxybenzamide
CID 42685636

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-propoxybenzamide?
The IUPAC name of N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-propoxybenzamide (CID 7646628) is N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-propoxybenzamide.
What is the SMILES notation for N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-propoxybenzamide?
The canonical SMILES for N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-propoxybenzamide is CCCOc1ccccc1C(=O)Nc1nonc1-c1ccc(OC)c(OC)c1.
What is the InChIKey of N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-propoxybenzamide?
The InChIKey is CMBUTBNHCUKSRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O5/c1-4-11-27-15-8-6-5-7-14(15)20(24)21-19-18(22-28-23-19)13-9-10-16(25-2)17(12-13)26-3/h5-10,12H,4,11H2,1-3H3,(H,21,23,24).
What are the key properties of N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-propoxybenzamide?
N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-propoxybenzamide has a molecular weight of 383.40 g/mol, XLogP of 3.79, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-propoxybenzamide is sourced from PubChem (CID 7646628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).