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

C20H21N3O5 — CID 4896437

IUPACN-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methoxybenzamide
SMILESCOc1ccc(-c2noc(CCNC(=O)c3ccccc3OC)n2)cc1OC
InChIInChI=1S/C20H21N3O5/c1-25-15-7-5-4-6-14(15)20(24)21-11-10-18-22-19(23-28-18)13-8-9-16(26-2)17(12-13)27-3/h4-9,12H,10-11H2,1-3H3,(H,21,24)
InChIKeyQEDAZCFBJYCLMJ-UHFFFAOYSA-N
MW383.40 g/mol
LogP2.73
Rot. Bonds8

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

N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methoxybenzamide (PubChem CID 4896437) has the molecular formula C20H21N3O5 and a molecular weight of 383.40 g/mol. Its IUPAC name is N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methoxybenzamide
PubChem CID4896437
Molecular FormulaC20H21N3O5
Molecular Weight383.40 g/mol
Exact Mass383.15
IUPAC NameN-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methoxybenzamide
SMILESCOc1ccc(-c2noc(CCNC(=O)c3ccccc3OC)n2)cc1OC
InChIInChI=1S/C20H21N3O5/c1-25-15-7-5-4-6-14(15)20(24)21-11-10-18-22-19(23-28-18)13-8-9-16(26-2)17(12-13)27-3/h4-9,12H,10-11H2,1-3H3,(H,21,24)
InChIKeyQEDAZCFBJYCLMJ-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(3,4-dimethoxyphenyl)-N-[2-[(2-methoxybenzoyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 16765622
2-chloro-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 4870909
2,6-dimethoxy-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 110324222
N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclobutanecarboxamide
CID 83285433
2-(2-methoxyphenoxy)-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide
CID 39867676
[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-[(2-methylbenzoyl)amino]propanoate
CID 33091507
N-[[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxybenzamide
CID 42797734
2-(3,4-dimethoxyphenyl)-N-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide
CID 110324159
3-(4-fluorophenyl)-N-[2-[(2-methoxybenzoyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 16765201
4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methoxyethyl)butanamide
CID 2031380
2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-ethylbenzamide
CID 3159477
3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(naphthalen-1-ylmethyl)propanamide
CID 100761177

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methoxybenzamide?
The IUPAC name of N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methoxybenzamide (CID 4896437) is N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methoxybenzamide.
What is the SMILES notation for N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methoxybenzamide?
The canonical SMILES for N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methoxybenzamide is COc1ccc(-c2noc(CCNC(=O)c3ccccc3OC)n2)cc1OC.
What is the InChIKey of N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methoxybenzamide?
The InChIKey is QEDAZCFBJYCLMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O5/c1-25-15-7-5-4-6-14(15)20(24)21-11-10-18-22-19(23-28-18)13-8-9-16(26-2)17(12-13)27-3/h4-9,12H,10-11H2,1-3H3,(H,21,24).
What are the key properties of N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methoxybenzamide?
N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methoxybenzamide has a molecular weight of 383.40 g/mol, XLogP of 2.73, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methoxybenzamide is sourced from PubChem (CID 4896437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).