3,4,5-trimethoxy-N-(4-methyl-1,2,5-oxadiazol-3-yl)benzamide

C13H15N3O5 — CID 35180458

IUPAC3,4,5-trimethoxy-N-(4-methyl-1,2,5-oxadiazol-3-yl)benzamide
SMILESCOc1cc(C(=O)Nc2nonc2C)cc(OC)c1OC
InChIInChI=1S/C13H15N3O5/c1-7-12(16-21-15-7)14-13(17)8-5-9(18-2)11(20-4)10(6-8)19-3/h5-6H,1-4H3,(H,14,16,17)
InChIKeyOWJVSJPUXQOVJL-UHFFFAOYSA-N
MW293.28 g/mol
LogP1.66
Rot. Bonds5

About 3,4,5-trimethoxy-N-(4-methyl-1,2,5-oxadiazol-3-yl)benzamide

3,4,5-trimethoxy-N-(4-methyl-1,2,5-oxadiazol-3-yl)benzamide (PubChem CID 35180458) has the molecular formula C13H15N3O5 and a molecular weight of 293.28 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-(4-methyl-1,2,5-oxadiazol-3-yl)benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-(4-methyl-1,2,5-oxadiazol-3-yl)benzamide
PubChem CID35180458
Molecular FormulaC13H15N3O5
Molecular Weight293.28 g/mol
Exact Mass293.10
IUPAC Name3,4,5-trimethoxy-N-(4-methyl-1,2,5-oxadiazol-3-yl)benzamide
SMILESCOc1cc(C(=O)Nc2nonc2C)cc(OC)c1OC
InChIInChI=1S/C13H15N3O5/c1-7-12(16-21-15-7)14-13(17)8-5-9(18-2)11(20-4)10(6-8)19-3/h5-6H,1-4H3,(H,14,16,17)
InChIKeyOWJVSJPUXQOVJL-UHFFFAOYSA-N
XLogP1.66
TPSA95.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-chloro-1,4,6-trimethylpyrazolo[3,4-b]pyridin-3-yl)-3,4,5-trimethoxybenzamide
CID 26433729
3,4,5-trimethoxy-N-[3-[(3,4,5-trimethoxybenzoyl)amino]phenyl]benzamide
CID 4578304
3,4,5-trimethoxy-N-sulfanylbenzamide
CID 59695341
3,4,5-trimethoxy-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]benzamide
CID 113051733
N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3,4,5-trimethoxybenzamide
CID 4246879
N-(5-chloro-2-pyridinyl)-3,4,5-trimethoxybenzamide
CID 673854
N-ethenyl-3,4,5-trimethoxybenzamide
CID 102575963
N-[4-(3,5-dimethylphenyl)-3-oxopyrazin-2-yl]-3,4,5-trimethoxybenzamide
CID 22425056
3-methyl-5-propan-2-yl-N'-(3,4,5-trimethoxybenzoyl)-1,2-oxazole-4-carbohydrazide
CID 9273624
3,4,5-trimethoxy-N-(4-phenyldiazenylphenyl)benzamide
CID 3504342
N-(5-bromo-4-methyl-2-pyridinyl)-3,4,5-trimethoxybenzamide
CID 46307937
diethyl 2-methyl-5-[(3,4,5-trimethoxybenzoyl)amino]furan-3,4-dicarboxylate
CID 108762104

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-(4-methyl-1,2,5-oxadiazol-3-yl)benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-(4-methyl-1,2,5-oxadiazol-3-yl)benzamide (CID 35180458) is 3,4,5-trimethoxy-N-(4-methyl-1,2,5-oxadiazol-3-yl)benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-(4-methyl-1,2,5-oxadiazol-3-yl)benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-(4-methyl-1,2,5-oxadiazol-3-yl)benzamide is COc1cc(C(=O)Nc2nonc2C)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-(4-methyl-1,2,5-oxadiazol-3-yl)benzamide?
The InChIKey is OWJVSJPUXQOVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O5/c1-7-12(16-21-15-7)14-13(17)8-5-9(18-2)11(20-4)10(6-8)19-3/h5-6H,1-4H3,(H,14,16,17).
What are the key properties of 3,4,5-trimethoxy-N-(4-methyl-1,2,5-oxadiazol-3-yl)benzamide?
3,4,5-trimethoxy-N-(4-methyl-1,2,5-oxadiazol-3-yl)benzamide has a molecular weight of 293.28 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-(4-methyl-1,2,5-oxadiazol-3-yl)benzamide is sourced from PubChem (CID 35180458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).