2-[[3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide

C19H19N3O6 — CID 56868729

IUPAC2-[[3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide
SMILESCOc1ccc(-c2noc(COc3ccccc3C(N)=O)n2)c(OC)c1OC
InChIInChI=1S/C19H19N3O6/c1-24-14-9-8-12(16(25-2)17(14)26-3)19-21-15(28-22-19)10-27-13-7-5-4-6-11(13)18(20)23/h4-9H,10H2,1-3H3,(H2,20,23)
InChIKeyRLHYBOSAFMTSAA-UHFFFAOYSA-N
MW385.38 g/mol
LogP2.44
Rot. Bonds8

About 2-[[3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide

2-[[3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide (PubChem CID 56868729) has the molecular formula C19H19N3O6 and a molecular weight of 385.38 g/mol. Its IUPAC name is 2-[[3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide.

Molecular Properties

Compound Name2-[[3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide
PubChem CID56868729
Molecular FormulaC19H19N3O6
Molecular Weight385.38 g/mol
Exact Mass385.13
IUPAC Name2-[[3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide
SMILESCOc1ccc(-c2noc(COc3ccccc3C(N)=O)n2)c(OC)c1OC
InChIInChI=1S/C19H19N3O6/c1-24-14-9-8-12(16(25-2)17(14)26-3)19-21-15(28-22-19)10-27-13-7-5-4-6-11(13)18(20)23/h4-9H,10H2,1-3H3,(H2,20,23)
InChIKeyRLHYBOSAFMTSAA-UHFFFAOYSA-N
XLogP2.44
TPSA118.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.38
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide
CID 20896118
2-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide
CID 9353549
[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-fluorobenzoate
CID 18171401
[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(2,6-dimethylphenoxy)acetate
CID 55357349
[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-[(4-fluorophenyl)methoxy]benzoate
CID 29362114
[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-chloro-4,5-dimethoxybenzoate
CID 7681084
2-[(2-methylphenyl)methoxy]benzamide
CID 7642222
[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
CID 86261810
5-(benzimidazol-1-ylmethyl)-3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazole
CID 56871077
N-(3,5-dimethoxyphenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]benzamide
CID 25237955
3-(2,4-dimethoxyphenyl)-5-[(2-ethoxyphenoxy)methyl]-1,2,4-oxadiazole
CID 9353480
[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-fluoro-4-methoxybenzoate
CID 8702810

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide?
The IUPAC name of 2-[[3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide (CID 56868729) is 2-[[3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide.
What is the SMILES notation for 2-[[3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide?
The canonical SMILES for 2-[[3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide is COc1ccc(-c2noc(COc3ccccc3C(N)=O)n2)c(OC)c1OC.
What is the InChIKey of 2-[[3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide?
The InChIKey is RLHYBOSAFMTSAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O6/c1-24-14-9-8-12(16(25-2)17(14)26-3)19-21-15(28-22-19)10-27-13-7-5-4-6-11(13)18(20)23/h4-9H,10H2,1-3H3,(H2,20,23).
What are the key properties of 2-[[3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide?
2-[[3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide has a molecular weight of 385.38 g/mol, XLogP of 2.44, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide is sourced from PubChem (CID 56868729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).