2-[(2,6-dimethoxy-4-methylphenoxy)methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole

C19H20N2O5 — CID 24607341

IUPAC2-[(2,6-dimethoxy-4-methylphenoxy)methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnc(COc3c(OC)cc(C)cc3OC)o2)cc1
InChIInChI=1S/C19H20N2O5/c1-12-9-15(23-3)18(16(10-12)24-4)25-11-17-20-21-19(26-17)13-5-7-14(22-2)8-6-13/h5-10H,11H2,1-4H3
InChIKeyGGLMIVFEGKPATC-UHFFFAOYSA-N
MW356.38 g/mol
LogP3.65
Rot. Bonds7

About 2-[(2,6-dimethoxy-4-methylphenoxy)methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole

2-[(2,6-dimethoxy-4-methylphenoxy)methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole (PubChem CID 24607341) has the molecular formula C19H20N2O5 and a molecular weight of 356.38 g/mol. Its IUPAC name is 2-[(2,6-dimethoxy-4-methylphenoxy)methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(2,6-dimethoxy-4-methylphenoxy)methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
PubChem CID24607341
Molecular FormulaC19H20N2O5
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Name2-[(2,6-dimethoxy-4-methylphenoxy)methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnc(COc3c(OC)cc(C)cc3OC)o2)cc1
InChIInChI=1S/C19H20N2O5/c1-12-9-15(23-3)18(16(10-12)24-4)25-11-17-20-21-19(26-17)13-5-7-14(22-2)8-6-13/h5-10H,11H2,1-4H3
InChIKeyGGLMIVFEGKPATC-UHFFFAOYSA-N
XLogP3.65
TPSA75.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-chlorophenyl)-5-[(2,6-dimethoxy-4-methylphenoxy)methyl]-1,3,4-oxadiazole
CID 7695649
2-(methoxymethyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 67274190
2-[(2-ethoxyphenoxy)methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 110655871
2-[(2-tert-butylphenoxy)methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 110655868
2-[(4-methoxy-2-nitrophenoxy)methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 26035873
4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]benzamide
CID 26051370
2-(3,4-dimethoxyphenyl)-5-[(3-methoxyphenoxy)methyl]-1,3,4-oxadiazole
CID 110655896
[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanol
CID 3041371
2-(3,4-dimethoxyphenyl)-5-(phenoxymethyl)-1,3,4-oxadiazole
CID 17384873
2-[(2-methoxy-4-methylphenoxy)methyl]-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 110655620
3-methoxy-4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]benzaldehyde
CID 38833285
N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-2-(4-methylphenoxy)ethanamine
CID 34722034

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dimethoxy-4-methylphenoxy)methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[(2,6-dimethoxy-4-methylphenoxy)methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole (CID 24607341) is 2-[(2,6-dimethoxy-4-methylphenoxy)methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(2,6-dimethoxy-4-methylphenoxy)methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[(2,6-dimethoxy-4-methylphenoxy)methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole is COc1ccc(-c2nnc(COc3c(OC)cc(C)cc3OC)o2)cc1.
What is the InChIKey of 2-[(2,6-dimethoxy-4-methylphenoxy)methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole?
The InChIKey is GGLMIVFEGKPATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5/c1-12-9-15(23-3)18(16(10-12)24-4)25-11-17-20-21-19(26-17)13-5-7-14(22-2)8-6-13/h5-10H,11H2,1-4H3.
What are the key properties of 2-[(2,6-dimethoxy-4-methylphenoxy)methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole?
2-[(2,6-dimethoxy-4-methylphenoxy)methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole has a molecular weight of 356.38 g/mol, XLogP of 3.65, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dimethoxy-4-methylphenoxy)methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 24607341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).