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

C20H22N2O4 — CID 25110365

IUPAC[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]methanol
SMILESCCOc1ccc(-c2nc(-c3ccc(CO)c(C)c3)no2)cc1OCC
InChIInChI=1S/C20H22N2O4/c1-4-24-17-9-8-15(11-18(17)25-5-2)20-21-19(22-26-20)14-6-7-16(12-23)13(3)10-14/h6-11,23H,4-5,12H2,1-3H3
InChIKeyXWBYFEGZQZHOJE-UHFFFAOYSA-N
MW354.41 g/mol
LogP4.00
Rot. Bonds7

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

[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]methanol (PubChem CID 25110365) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is [4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]methanol.

Molecular Properties

Compound Name[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]methanol
PubChem CID25110365
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]methanol
SMILESCCOc1ccc(-c2nc(-c3ccc(CO)c(C)c3)no2)cc1OCC
InChIInChI=1S/C20H22N2O4/c1-4-24-17-9-8-15(11-18(17)25-5-2)20-21-19(22-26-20)14-6-7-16(12-23)13(3)10-14/h6-11,23H,4-5,12H2,1-3H3
InChIKeyXWBYFEGZQZHOJE-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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Related Compounds

3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]aniline
CID 42281999
2-[4-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-ethoxyphenoxy]acetic acid
CID 23010360
5-(3,4-diethoxyphenyl)-3-isoquinolin-3-yl-1,2,4-oxadiazole
CID 25110373
[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]methanamine
CID 143910304
5-[3-ethoxy-4-(2-(18F)fluoroethoxy)phenyl]-3-phenyl-1,2,4-oxadiazole
CID 159007615
2-[4-[5-(4-tert-butylphenyl)-1,2,4-oxadiazol-3-yl]-2-ethoxyphenoxy]acetic acid
CID 23010359
5-(3,4-diethoxyphenyl)-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole
CID 53138486
2-[[5-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1-benzofuran-2-yl]methylamino]propane-1,3-diol
CID 74221017
[2-methyl-4-[5-[4-(2-methylphenyl)-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanol
CID 66678083
1-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-N'-ethyl-N-methylmethanediamine
CID 143910298
5-(2-bromophenyl)-3-(3-ethoxy-4-methoxyphenyl)-1,2,4-oxadiazole
CID 2979292
5-chloro-4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-iodophenol
CID 136509872

Frequently Asked Questions

What is the IUPAC name of [4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]methanol?
The IUPAC name of [4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]methanol (CID 25110365) is [4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]methanol.
What is the SMILES notation for [4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]methanol?
The canonical SMILES for [4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]methanol is CCOc1ccc(-c2nc(-c3ccc(CO)c(C)c3)no2)cc1OCC.
What is the InChIKey of [4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]methanol?
The InChIKey is XWBYFEGZQZHOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-4-24-17-9-8-15(11-18(17)25-5-2)20-21-19(22-26-20)14-6-7-16(12-23)13(3)10-14/h6-11,23H,4-5,12H2,1-3H3.
What are the key properties of [4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]methanol?
[4-[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 [4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]methanol is sourced from PubChem (CID 25110365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).