5-fluoro-2-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]phenol

C12H13FN2O3 — CID 136701059

IUPAC5-fluoro-2-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESCCCOCc1noc(-c2ccc(F)cc2O)n1
InChIInChI=1S/C12H13FN2O3/c1-2-5-17-7-11-14-12(18-15-11)9-4-3-8(13)6-10(9)16/h3-4,6,16H,2,5,7H2,1H3
InChIKeyWSKZUJUETRQPRS-UHFFFAOYSA-N
MW252.25 g/mol
LogP2.51
Rot. Bonds5

About 5-fluoro-2-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]phenol

5-fluoro-2-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 136701059) has the molecular formula C12H13FN2O3 and a molecular weight of 252.25 g/mol. Its IUPAC name is 5-fluoro-2-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name5-fluoro-2-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]phenol
PubChem CID136701059
Molecular FormulaC12H13FN2O3
Molecular Weight252.25 g/mol
Exact Mass252.09
IUPAC Name5-fluoro-2-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESCCCOCc1noc(-c2ccc(F)cc2O)n1
InChIInChI=1S/C12H13FN2O3/c1-2-5-17-7-11-14-12(18-15-11)9-4-3-8(13)6-10(9)16/h3-4,6,16H,2,5,7H2,1H3
InChIKeyWSKZUJUETRQPRS-UHFFFAOYSA-N
XLogP2.51
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.25
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-4-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136927411
2-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-5-fluorophenol
CID 136964407
3-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 63844927
4-fluoro-2-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136908077
2-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-5-fluorophenol
CID 136789913
4-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 136904336
5-(4-fluoro-2-methylphenyl)-3-(methoxymethyl)-1,2,4-oxadiazole
CID 167795893
2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-5-fluorophenol
CID 136809747
3-[3-(ethoxymethyl)-1,2,4-oxadiazol-5-yl]benzene-1,2-diol
CID 136983498
2-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-5-fluorophenol
CID 136790025
N-methyl-2-[2-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 104548430
5-fluoro-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136809721

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 5-fluoro-2-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]phenol (CID 136701059) is 5-fluoro-2-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 5-fluoro-2-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 5-fluoro-2-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]phenol is CCCOCc1noc(-c2ccc(F)cc2O)n1.
What is the InChIKey of 5-fluoro-2-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is WSKZUJUETRQPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O3/c1-2-5-17-7-11-14-12(18-15-11)9-4-3-8(13)6-10(9)16/h3-4,6,16H,2,5,7H2,1H3.
What are the key properties of 5-fluoro-2-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]phenol?
5-fluoro-2-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]phenol has a molecular weight of 252.25 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 136701059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).