2-[(2-ethoxyphenoxy)methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole

C18H18N2O4 — CID 110655871

IUPAC2-[(2-ethoxyphenoxy)methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
SMILESCCOc1ccccc1OCc1nnc(-c2ccc(OC)cc2)o1
InChIInChI=1S/C18H18N2O4/c1-3-22-15-6-4-5-7-16(15)23-12-17-19-20-18(24-17)13-8-10-14(21-2)11-9-13/h4-11H,3,12H2,1-2H3
InChIKeyKVIKLCRDJMBXNE-UHFFFAOYSA-N
MW326.35 g/mol
LogP3.72
Rot. Bonds7

About 2-[(2-ethoxyphenoxy)methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole

2-[(2-ethoxyphenoxy)methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole (PubChem CID 110655871) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is 2-[(2-ethoxyphenoxy)methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(2-ethoxyphenoxy)methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
PubChem CID110655871
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name2-[(2-ethoxyphenoxy)methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
SMILESCCOc1ccccc1OCc1nnc(-c2ccc(OC)cc2)o1
InChIInChI=1S/C18H18N2O4/c1-3-22-15-6-4-5-7-16(15)23-12-17-19-20-18(24-17)13-8-10-14(21-2)11-9-13/h4-11H,3,12H2,1-2H3
InChIKeyKVIKLCRDJMBXNE-UHFFFAOYSA-N
XLogP3.72
TPSA66.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2-tert-butylphenoxy)methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 110655868
2-(methoxymethyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 67274190
2-[(2,6-dimethoxy-4-methylphenoxy)methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 24607341
[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-phenylmethanone
CID 27912068
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 24605221
2-[(4-methoxy-2-nitrophenoxy)methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 26035873
2-(chloromethyl)-5-[(2-ethoxyphenoxy)methyl]-1,3,4-oxadiazole
CID 39367364
4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]benzamide
CID 26051370
2-[(3-ethoxyphenoxy)methyl]-5-(3-methoxyphenyl)-1,3,4-oxadiazole
CID 110655825
2-[(2-bromophenoxy)methyl]-5-(3-methoxyphenyl)-1,3,4-oxadiazole
CID 110655809
[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanol
CID 3041371
2-(3,4-dimethoxyphenyl)-5-(phenoxymethyl)-1,3,4-oxadiazole
CID 17384873

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethoxyphenoxy)methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[(2-ethoxyphenoxy)methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole (CID 110655871) is 2-[(2-ethoxyphenoxy)methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(2-ethoxyphenoxy)methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[(2-ethoxyphenoxy)methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole is CCOc1ccccc1OCc1nnc(-c2ccc(OC)cc2)o1.
What is the InChIKey of 2-[(2-ethoxyphenoxy)methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole?
The InChIKey is KVIKLCRDJMBXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-3-22-15-6-4-5-7-16(15)23-12-17-19-20-18(24-17)13-8-10-14(21-2)11-9-13/h4-11H,3,12H2,1-2H3.
What are the key properties of 2-[(2-ethoxyphenoxy)methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole?
2-[(2-ethoxyphenoxy)methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole has a molecular weight of 326.35 g/mol, XLogP of 3.72, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethoxyphenoxy)methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 110655871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).