[3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]methanol

C20H22N2O4 — CID 25110353

IUPAC[3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]methanol
SMILESCCOc1ccc(-c2nc(-c3cccc(CO)c3C)no2)cc1OCC
InChIInChI=1S/C20H22N2O4/c1-4-24-17-10-9-14(11-18(17)25-5-2)20-21-19(22-26-20)16-8-6-7-15(12-23)13(16)3/h6-11,23H,4-5,12H2,1-3H3
InChIKeyAVZSKVROSWTCKE-UHFFFAOYSA-N
MW354.41 g/mol
LogP4.00
Rot. Bonds7

About [3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]methanol

[3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]methanol (PubChem CID 25110353) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is [3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]methanol.

Molecular Properties

Compound Name[3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]methanol
PubChem CID25110353
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name[3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]methanol
SMILESCCOc1ccc(-c2nc(-c3cccc(CO)c3C)no2)cc1OCC
InChIInChI=1S/C20H22N2O4/c1-4-24-17-10-9-14(11-18(17)25-5-2)20-21-19(22-26-20)16-8-6-7-15(12-23)13(16)3/h6-11,23H,4-5,12H2,1-3H3
InChIKeyAVZSKVROSWTCKE-UHFFFAOYSA-N
XLogP4.00
TPSA77.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]methanol?
The IUPAC name of [3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]methanol (CID 25110353) is [3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]methanol.
What is the SMILES notation for [3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]methanol?
The canonical SMILES for [3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]methanol is CCOc1ccc(-c2nc(-c3cccc(CO)c3C)no2)cc1OCC.
What is the InChIKey of [3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]methanol?
The InChIKey is AVZSKVROSWTCKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-4-24-17-10-9-14(11-18(17)25-5-2)20-21-19(22-26-20)16-8-6-7-15(12-23)13(16)3/h6-11,23H,4-5,12H2,1-3H3.
What are the key properties of [3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]methanol?
[3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]methanol has a molecular weight of 354.41 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]methanol is sourced from PubChem (CID 25110353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).