2-(3,4-dimethoxyphenyl)-5-[(3-methoxyphenoxy)methyl]-1,3,4-oxadiazole

C18H18N2O5 — CID 110655896

IUPAC2-(3,4-dimethoxyphenyl)-5-[(3-methoxyphenoxy)methyl]-1,3,4-oxadiazole
SMILESCOc1cccc(OCc2nnc(-c3ccc(OC)c(OC)c3)o2)c1
InChIInChI=1S/C18H18N2O5/c1-21-13-5-4-6-14(10-13)24-11-17-19-20-18(25-17)12-7-8-15(22-2)16(9-12)23-3/h4-10H,11H2,1-3H3
InChIKeyUFOPTSHJPQIPHK-UHFFFAOYSA-N
MW342.35 g/mol
LogP3.34
Rot. Bonds7

About 2-(3,4-dimethoxyphenyl)-5-[(3-methoxyphenoxy)methyl]-1,3,4-oxadiazole

2-(3,4-dimethoxyphenyl)-5-[(3-methoxyphenoxy)methyl]-1,3,4-oxadiazole (PubChem CID 110655896) has the molecular formula C18H18N2O5 and a molecular weight of 342.35 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-5-[(3-methoxyphenoxy)methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-5-[(3-methoxyphenoxy)methyl]-1,3,4-oxadiazole
PubChem CID110655896
Molecular FormulaC18H18N2O5
Molecular Weight342.35 g/mol
Exact Mass342.12
IUPAC Name2-(3,4-dimethoxyphenyl)-5-[(3-methoxyphenoxy)methyl]-1,3,4-oxadiazole
SMILESCOc1cccc(OCc2nnc(-c3ccc(OC)c(OC)c3)o2)c1
InChIInChI=1S/C18H18N2O5/c1-21-13-5-4-6-14(10-13)24-11-17-19-20-18(25-17)12-7-8-15(22-2)16(9-12)23-3/h4-10H,11H2,1-3H3
InChIKeyUFOPTSHJPQIPHK-UHFFFAOYSA-N
XLogP3.34
TPSA75.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3,4-dimethoxyphenyl)-5-(phenoxymethyl)-1,3,4-oxadiazole
CID 17384873
2-(3,4-dimethoxyphenyl)-5-[(3-propan-2-ylphenoxy)methyl]-1,3,4-oxadiazole
CID 110655902
2-[(3-ethoxyphenoxy)methyl]-5-(3-methoxyphenyl)-1,3,4-oxadiazole
CID 110655825
2-(3,4-dimethoxyphenyl)-5-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole
CID 92645083
2-[(2-bromophenoxy)methyl]-5-(3-methoxyphenyl)-1,3,4-oxadiazole
CID 110655809
2-[(2-methoxy-4-methylphenoxy)methyl]-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 110655620
2-[[4-(5,6-dichloro-1H-benzimidazol-2-yl)-2-methoxyphenoxy]methyl]-5-(3-methoxyphenyl)-1,3,4-oxadiazole
CID 166593615
2-[(4-methoxyphenoxy)methyl]-5-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-1,3,4-oxadiazole
CID 92645296
2-[4-[(3-methoxyphenoxy)methyl]phenyl]-5-phenyl-1,3,4-oxadiazole
CID 19542172
2-(4-methoxyphenyl)-5-[(3-methoxyphenyl)sulfanylmethyl]-1,3,4-oxadiazole
CID 35042305
2-[[5-[(3-methoxyphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetonitrile
CID 3171553
2-[(2,6-dimethoxy-4-methylphenoxy)methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 24607341

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-5-[(3-methoxyphenoxy)methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-5-[(3-methoxyphenoxy)methyl]-1,3,4-oxadiazole (CID 110655896) is 2-(3,4-dimethoxyphenyl)-5-[(3-methoxyphenoxy)methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-5-[(3-methoxyphenoxy)methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-5-[(3-methoxyphenoxy)methyl]-1,3,4-oxadiazole is COc1cccc(OCc2nnc(-c3ccc(OC)c(OC)c3)o2)c1.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-5-[(3-methoxyphenoxy)methyl]-1,3,4-oxadiazole?
The InChIKey is UFOPTSHJPQIPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O5/c1-21-13-5-4-6-14(10-13)24-11-17-19-20-18(25-17)12-7-8-15(22-2)16(9-12)23-3/h4-10H,11H2,1-3H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-5-[(3-methoxyphenoxy)methyl]-1,3,4-oxadiazole?
2-(3,4-dimethoxyphenyl)-5-[(3-methoxyphenoxy)methyl]-1,3,4-oxadiazole has a molecular weight of 342.35 g/mol, XLogP of 3.34, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-5-[(3-methoxyphenoxy)methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 110655896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).