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

C11H12N2O3 — CID 102660254

IUPAC[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]methanol
SMILESCCOc1ccccc1-c1nc(CO)no1
InChIInChI=1S/C11H12N2O3/c1-2-15-9-6-4-3-5-8(9)11-12-10(7-14)13-16-11/h3-6,14H,2,7H2,1H3
InChIKeyYUISYIKKCQNHSI-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.63
Rot. Bonds4

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

[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]methanol (PubChem CID 102660254) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is [5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]methanol.

Molecular Properties

Compound Name[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]methanol
PubChem CID102660254
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]methanol
SMILESCCOc1ccccc1-c1nc(CO)no1
InChIInChI=1S/C11H12N2O3/c1-2-15-9-6-4-3-5-8(9)11-12-10(7-14)13-16-11/h3-6,14H,2,7H2,1H3
InChIKeyYUISYIKKCQNHSI-UHFFFAOYSA-N
XLogP1.63
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-methylacetamide
CID 75505999
N-[[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine
CID 62342561
5-(2-ethoxyphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 19658008
3-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylaniline
CID 19330739
[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 16767461
3-(3-bromophenyl)-5-(2-ethoxyphenyl)-1,2,4-oxadiazole
CID 2231572
(5-quinolin-4-yl-1,2,4-oxadiazol-3-yl)methanol
CID 102660418
5-(2-ethoxyphenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120957648
5-(2-ethoxyphenyl)-3-[2-(2-methylpropyl)-4-pyridinyl]-1,2,4-oxadiazole
CID 146297070
2-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 120868586
5-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol
CID 115534543
1-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanone
CID 115534402

Frequently Asked Questions

What is the IUPAC name of [5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]methanol?
The IUPAC name of [5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]methanol (CID 102660254) is [5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]methanol.
What is the SMILES notation for [5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]methanol?
The canonical SMILES for [5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]methanol is CCOc1ccccc1-c1nc(CO)no1.
What is the InChIKey of [5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]methanol?
The InChIKey is YUISYIKKCQNHSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-2-15-9-6-4-3-5-8(9)11-12-10(7-14)13-16-11/h3-6,14H,2,7H2,1H3.
What are the key properties of [5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]methanol?
[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]methanol has a molecular weight of 220.23 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]methanol is sourced from PubChem (CID 102660254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).