4-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methoxyphenol

C13H16N2O4 — CID 136745795

IUPAC4-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methoxyphenol
SMILESCCOCCc1noc(-c2ccc(O)c(OC)c2)n1
InChIInChI=1S/C13H16N2O4/c1-3-18-7-6-12-14-13(19-15-12)9-4-5-10(16)11(8-9)17-2/h4-5,8,16H,3,6-7H2,1-2H3
InChIKeyOPJULCMTUFFLCH-UHFFFAOYSA-N
MW264.28 g/mol
LogP2.03
Rot. Bonds6

About 4-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methoxyphenol

4-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methoxyphenol (PubChem CID 136745795) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 4-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methoxyphenol
PubChem CID136745795
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name4-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methoxyphenol
SMILESCCOCCc1noc(-c2ccc(O)c(OC)c2)n1
InChIInChI=1S/C13H16N2O4/c1-3-18-7-6-12-14-13(19-15-12)9-4-5-10(16)11(8-9)17-2/h4-5,8,16H,3,6-7H2,1-2H3
InChIKeyOPJULCMTUFFLCH-UHFFFAOYSA-N
XLogP2.03
TPSA77.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-2-methoxyphenol
CID 136842510
5-(3,4-dimethoxyphenyl)-3-propyl-1,2,4-oxadiazole
CID 768428
2-chloro-4-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]phenol
CID 136780931
4-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 136904336
2-[4-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 106814604
2-methoxy-5-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]phenol
CID 79732855
5-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol
CID 106815773
2-[5-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 61336066
5-(2,3-dihydro-1H-indol-5-yl)-3-(2-ethoxyethyl)-1,2,4-oxadiazole
CID 106814581
4-(3-ethyl-1,2,4-oxadiazol-5-yl)benzene-1,2-diol
CID 136904389
4-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methoxyphenol
CID 136889520
2-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine
CID 62342099

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methoxyphenol?
The IUPAC name of 4-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methoxyphenol (CID 136745795) is 4-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methoxyphenol.
What is the SMILES notation for 4-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methoxyphenol?
The canonical SMILES for 4-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methoxyphenol is CCOCCc1noc(-c2ccc(O)c(OC)c2)n1.
What is the InChIKey of 4-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methoxyphenol?
The InChIKey is OPJULCMTUFFLCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-3-18-7-6-12-14-13(19-15-12)9-4-5-10(16)11(8-9)17-2/h4-5,8,16H,3,6-7H2,1-2H3.
What are the key properties of 4-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methoxyphenol?
4-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methoxyphenol has a molecular weight of 264.28 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methoxyphenol is sourced from PubChem (CID 136745795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).