2-(3-ethyl-1,2,4-oxadiazol-5-yl)-3-fluorophenol

C10H9FN2O2 — CID 136670660

IUPAC2-(3-ethyl-1,2,4-oxadiazol-5-yl)-3-fluorophenol
SMILESCCc1noc(-c2c(O)cccc2F)n1
InChIInChI=1S/C10H9FN2O2/c1-2-8-12-10(15-13-8)9-6(11)4-3-5-7(9)14/h3-5,14H,2H2,1H3
InChIKeyPHSIOBWISWWAAA-UHFFFAOYSA-N
MW208.19 g/mol
LogP2.14
Rot. Bonds2

About 2-(3-ethyl-1,2,4-oxadiazol-5-yl)-3-fluorophenol

2-(3-ethyl-1,2,4-oxadiazol-5-yl)-3-fluorophenol (PubChem CID 136670660) has the molecular formula C10H9FN2O2 and a molecular weight of 208.19 g/mol. Its IUPAC name is 2-(3-ethyl-1,2,4-oxadiazol-5-yl)-3-fluorophenol.

Molecular Properties

Compound Name2-(3-ethyl-1,2,4-oxadiazol-5-yl)-3-fluorophenol
PubChem CID136670660
Molecular FormulaC10H9FN2O2
Molecular Weight208.19 g/mol
Exact Mass208.06
IUPAC Name2-(3-ethyl-1,2,4-oxadiazol-5-yl)-3-fluorophenol
SMILESCCc1noc(-c2c(O)cccc2F)n1
InChIInChI=1S/C10H9FN2O2/c1-2-8-12-10(15-13-8)9-6(11)4-3-5-7(9)14/h3-5,14H,2H2,1H3
InChIKeyPHSIOBWISWWAAA-UHFFFAOYSA-N
XLogP2.14
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.19
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-3-fluorophenol
CID 136670697
3-fluoro-2-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]phenol
CID 136789900
2-[3-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-fluorophenol
CID 136789880
2-(3-methyl-1,2,4-oxadiazol-5-yl)benzene-1,3-diol
CID 136813400
3-fluoro-2-[3-(5-methylpyrimidin-2-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 136789984
3-ethyl-5-(3-fluoro-2-pyridinyl)-1,2,4-oxadiazole
CID 118348723
2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 136813443
N-[[5-(2-chloro-6-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine
CID 62341977
3-fluoro-2-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136790086
3-fluoro-2-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136967854
4-(3-ethyl-1,2,4-oxadiazol-5-yl)benzene-1,2-diol
CID 136904389
3-fluoro-2-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136789902

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-1,2,4-oxadiazol-5-yl)-3-fluorophenol?
The IUPAC name of 2-(3-ethyl-1,2,4-oxadiazol-5-yl)-3-fluorophenol (CID 136670660) is 2-(3-ethyl-1,2,4-oxadiazol-5-yl)-3-fluorophenol.
What is the SMILES notation for 2-(3-ethyl-1,2,4-oxadiazol-5-yl)-3-fluorophenol?
The canonical SMILES for 2-(3-ethyl-1,2,4-oxadiazol-5-yl)-3-fluorophenol is CCc1noc(-c2c(O)cccc2F)n1.
What is the InChIKey of 2-(3-ethyl-1,2,4-oxadiazol-5-yl)-3-fluorophenol?
The InChIKey is PHSIOBWISWWAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O2/c1-2-8-12-10(15-13-8)9-6(11)4-3-5-7(9)14/h3-5,14H,2H2,1H3.
What are the key properties of 2-(3-ethyl-1,2,4-oxadiazol-5-yl)-3-fluorophenol?
2-(3-ethyl-1,2,4-oxadiazol-5-yl)-3-fluorophenol has a molecular weight of 208.19 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-1,2,4-oxadiazol-5-yl)-3-fluorophenol is sourced from PubChem (CID 136670660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).