2-(3,4-dimethoxyphenyl)-5-(phenoxymethyl)-1,3,4-oxadiazole

C17H16N2O4 — CID 17384873

IUPAC2-(3,4-dimethoxyphenyl)-5-(phenoxymethyl)-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnc(COc3ccccc3)o2)cc1OC
InChIInChI=1S/C17H16N2O4/c1-20-14-9-8-12(10-15(14)21-2)17-19-18-16(23-17)11-22-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3
InChIKeyULSZMPPWUMDYNL-UHFFFAOYSA-N
MW312.33 g/mol
LogP3.33
Rot. Bonds6

About 2-(3,4-dimethoxyphenyl)-5-(phenoxymethyl)-1,3,4-oxadiazole

2-(3,4-dimethoxyphenyl)-5-(phenoxymethyl)-1,3,4-oxadiazole (PubChem CID 17384873) has the molecular formula C17H16N2O4 and a molecular weight of 312.33 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-5-(phenoxymethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-5-(phenoxymethyl)-1,3,4-oxadiazole
PubChem CID17384873
Molecular FormulaC17H16N2O4
Molecular Weight312.33 g/mol
Exact Mass312.11
IUPAC Name2-(3,4-dimethoxyphenyl)-5-(phenoxymethyl)-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnc(COc3ccccc3)o2)cc1OC
InChIInChI=1S/C17H16N2O4/c1-20-14-9-8-12(10-15(14)21-2)17-19-18-16(23-17)11-22-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3
InChIKeyULSZMPPWUMDYNL-UHFFFAOYSA-N
XLogP3.33
TPSA66.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,4-dimethoxyphenyl)-5-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole
CID 92645083
2-(3,4-dimethoxyphenyl)-5-[(3-methoxyphenoxy)methyl]-1,3,4-oxadiazole
CID 110655896
2-(3,4-dimethoxyphenyl)-5-[(3-propan-2-ylphenoxy)methyl]-1,3,4-oxadiazole
CID 110655902
2-(chloromethyl)-5-(3-methoxy-4-phenylmethoxyphenyl)-1,3,4-oxadiazole
CID 46944561
2-(3,4-dimethoxyphenyl)-5-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole
CID 110656547
2-[(2-methoxy-4-methylphenoxy)methyl]-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 110655620
2-(3-methylphenyl)-5-[(4-phenoxyphenoxy)methyl]-1,3,4-oxadiazole
CID 110655626
2-[(3-ethoxyphenoxy)methyl]-5-(3-methoxyphenyl)-1,3,4-oxadiazole
CID 110655825
N-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-phenylethanamine
CID 110653110
2-[(2-bromophenoxy)methyl]-5-(3-methoxyphenyl)-1,3,4-oxadiazole
CID 110655809
[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-phenylmethanone
CID 27912068
2-[(2-ethoxyphenoxy)methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 110655871

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-5-(phenoxymethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-5-(phenoxymethyl)-1,3,4-oxadiazole (CID 17384873) is 2-(3,4-dimethoxyphenyl)-5-(phenoxymethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-5-(phenoxymethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-5-(phenoxymethyl)-1,3,4-oxadiazole is COc1ccc(-c2nnc(COc3ccccc3)o2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-5-(phenoxymethyl)-1,3,4-oxadiazole?
The InChIKey is ULSZMPPWUMDYNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4/c1-20-14-9-8-12(10-15(14)21-2)17-19-18-16(23-17)11-22-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-5-(phenoxymethyl)-1,3,4-oxadiazole?
2-(3,4-dimethoxyphenyl)-5-(phenoxymethyl)-1,3,4-oxadiazole has a molecular weight of 312.33 g/mol, XLogP of 3.33, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-5-(phenoxymethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 17384873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).