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

C20H21N3O5 — CID 43975922

IUPACN-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-methoxybenzamide
SMILESCCOc1ccc(-c2nnc(NC(=O)c3ccccc3OC)o2)cc1OCC
InChIInChI=1S/C20H21N3O5/c1-4-26-16-11-10-13(12-17(16)27-5-2)19-22-23-20(28-19)21-18(24)14-8-6-7-9-15(14)25-3/h6-12H,4-5H2,1-3H3,(H,21,23,24)
InChIKeyBLWFQGIXTNMBLO-UHFFFAOYSA-N
MW383.40 g/mol
LogP3.79
Rot. Bonds8

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

N-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-methoxybenzamide (PubChem CID 43975922) has the molecular formula C20H21N3O5 and a molecular weight of 383.40 g/mol. Its IUPAC name is N-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-methoxybenzamide
PubChem CID43975922
Molecular FormulaC20H21N3O5
Molecular Weight383.40 g/mol
Exact Mass383.15
IUPAC NameN-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-methoxybenzamide
SMILESCCOc1ccc(-c2nnc(NC(=O)c3ccccc3OC)o2)cc1OCC
InChIInChI=1S/C20H21N3O5/c1-4-26-16-11-10-13(12-17(16)27-5-2)19-22-23-20(28-19)21-18(24)14-8-6-7-9-15(14)25-3/h6-12H,4-5H2,1-3H3,(H,21,23,24)
InChIKeyBLWFQGIXTNMBLO-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

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Related Compounds

N-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-phenylbenzamide
CID 43975859
N-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-methoxybenzamide
CID 43975865
N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-phenoxybenzamide
CID 8698901
N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-methylbenzamide
CID 7655700
2-methoxy-N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 3367763
N-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(2,4-dimethoxyphenyl)acetamide
CID 43976073
N-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-pentoxybenzamide
CID 43975905
N-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-(4-methylphenyl)sulfonylpropanamide
CID 43975965
2,5-dimethoxy-N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16848805
N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-ethoxybenzamide
CID 7711063
N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-[(4-fluorophenyl)methoxy]benzamide
CID 4782503
4-butoxy-N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 7655666

Frequently Asked Questions

What is the IUPAC name of N-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-methoxybenzamide?
The IUPAC name of N-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-methoxybenzamide (CID 43975922) is N-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-methoxybenzamide.
What is the SMILES notation for N-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-methoxybenzamide?
The canonical SMILES for N-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-methoxybenzamide is CCOc1ccc(-c2nnc(NC(=O)c3ccccc3OC)o2)cc1OCC.
What is the InChIKey of N-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-methoxybenzamide?
The InChIKey is BLWFQGIXTNMBLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O5/c1-4-26-16-11-10-13(12-17(16)27-5-2)19-22-23-20(28-19)21-18(24)14-8-6-7-9-15(14)25-3/h6-12H,4-5H2,1-3H3,(H,21,23,24).
What are the key properties of N-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-methoxybenzamide?
N-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-methoxybenzamide 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-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-methoxybenzamide is sourced from PubChem (CID 43975922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).