3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol

C12H14N2O3 — CID 82830184

IUPAC3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol
SMILESCOCCc1noc(-c2cccc(O)c2C)n1
InChIInChI=1S/C12H14N2O3/c1-8-9(4-3-5-10(8)15)12-13-11(14-17-12)6-7-16-2/h3-5,15H,6-7H2,1-2H3
InChIKeyCIZDJYWHSJPBKN-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.94
Rot. Bonds4

About 3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol

3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol (PubChem CID 82830184) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol.

Molecular Properties

Compound Name3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol
PubChem CID82830184
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol
SMILESCOCCc1noc(-c2cccc(O)c2C)n1
InChIInChI=1S/C12H14N2O3/c1-8-9(4-3-5-10(8)15)12-13-11(14-17-12)6-7-16-2/h3-5,15H,6-7H2,1-2H3
InChIKeyCIZDJYWHSJPBKN-UHFFFAOYSA-N
XLogP1.94
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline
CID 55151915
2-methyl-3-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]phenol
CID 103151094
2-methyl-3-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]phenol
CID 82830187
3-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-2-methylphenol
CID 82831138
2-methyl-3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]phenol
CID 82830538
2-methyl-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 82830185
2-methyl-3-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 82831134
3-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol
CID 116733692
2-methyl-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)phenol
CID 82830253
3-(2-methoxyethyl)-5-(1,2,3,4-tetrahydroquinolin-5-yl)-1,2,4-oxadiazole
CID 61412494
4-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-3-methylphenol
CID 136751338
3-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]-2-methylphenol
CID 116809604

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol?
The IUPAC name of 3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol (CID 82830184) is 3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol.
What is the SMILES notation for 3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol?
The canonical SMILES for 3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol is COCCc1noc(-c2cccc(O)c2C)n1.
What is the InChIKey of 3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol?
The InChIKey is CIZDJYWHSJPBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-8-9(4-3-5-10(8)15)12-13-11(14-17-12)6-7-16-2/h3-5,15H,6-7H2,1-2H3.
What are the key properties of 3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol?
3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol has a molecular weight of 234.25 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol is sourced from PubChem (CID 82830184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).