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

C18H18N2O4 — CID 110655825

IUPAC2-[(3-ethoxyphenoxy)methyl]-5-(3-methoxyphenyl)-1,3,4-oxadiazole
SMILESCCOc1cccc(OCc2nnc(-c3cccc(OC)c3)o2)c1
InChIInChI=1S/C18H18N2O4/c1-3-22-15-8-5-9-16(11-15)23-12-17-19-20-18(24-17)13-6-4-7-14(10-13)21-2/h4-11H,3,12H2,1-2H3
InChIKeyOKGZDLJRAZEWJV-UHFFFAOYSA-N
MW326.35 g/mol
LogP3.72
Rot. Bonds7

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

2-[(3-ethoxyphenoxy)methyl]-5-(3-methoxyphenyl)-1,3,4-oxadiazole (PubChem CID 110655825) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is 2-[(3-ethoxyphenoxy)methyl]-5-(3-methoxyphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(3-ethoxyphenoxy)methyl]-5-(3-methoxyphenyl)-1,3,4-oxadiazole
PubChem CID110655825
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name2-[(3-ethoxyphenoxy)methyl]-5-(3-methoxyphenyl)-1,3,4-oxadiazole
SMILESCCOc1cccc(OCc2nnc(-c3cccc(OC)c3)o2)c1
InChIInChI=1S/C18H18N2O4/c1-3-22-15-8-5-9-16(11-15)23-12-17-19-20-18(24-17)13-6-4-7-14(10-13)21-2/h4-11H,3,12H2,1-2H3
InChIKeyOKGZDLJRAZEWJV-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-(3,4-dimethoxyphenyl)-5-[(3-methoxyphenoxy)methyl]-1,3,4-oxadiazole
CID 110655896
2-[(2-bromophenoxy)methyl]-5-(3-methoxyphenyl)-1,3,4-oxadiazole
CID 110655809
2-[(4-methoxyphenoxy)methyl]-5-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-1,3,4-oxadiazole
CID 92645296
2-(3-chloropropyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole
CID 39356122
1-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
CID 62139034
N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 62136683
2-[4-[(3-methoxyphenoxy)methyl]phenyl]-5-phenyl-1,3,4-oxadiazole
CID 19542172
2-(3,4-dimethoxyphenyl)-5-(phenoxymethyl)-1,3,4-oxadiazole
CID 17384873
2-[(2-ethoxyphenoxy)methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 110655871
2-[[5-[(3-methoxyphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetonitrile
CID 3171553
2-(3,4-dimethoxyphenyl)-5-[(3-propan-2-ylphenoxy)methyl]-1,3,4-oxadiazole
CID 110655902
2-(3-chloropropyl)-5-[(3-ethoxyphenoxy)methyl]-1,3,4-oxadiazole
CID 39416017

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethoxyphenoxy)methyl]-5-(3-methoxyphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[(3-ethoxyphenoxy)methyl]-5-(3-methoxyphenyl)-1,3,4-oxadiazole (CID 110655825) is 2-[(3-ethoxyphenoxy)methyl]-5-(3-methoxyphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(3-ethoxyphenoxy)methyl]-5-(3-methoxyphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[(3-ethoxyphenoxy)methyl]-5-(3-methoxyphenyl)-1,3,4-oxadiazole is CCOc1cccc(OCc2nnc(-c3cccc(OC)c3)o2)c1.
What is the InChIKey of 2-[(3-ethoxyphenoxy)methyl]-5-(3-methoxyphenyl)-1,3,4-oxadiazole?
The InChIKey is OKGZDLJRAZEWJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-3-22-15-8-5-9-16(11-15)23-12-17-19-20-18(24-17)13-6-4-7-14(10-13)21-2/h4-11H,3,12H2,1-2H3.
What are the key properties of 2-[(3-ethoxyphenoxy)methyl]-5-(3-methoxyphenyl)-1,3,4-oxadiazole?
2-[(3-ethoxyphenoxy)methyl]-5-(3-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-[(3-ethoxyphenoxy)methyl]-5-(3-methoxyphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 110655825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).