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

C9H7FN2O2 — CID 43558770

IUPAC[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methanol
SMILESOCc1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C9H7FN2O2/c10-7-3-1-6(2-4-7)9-11-8(5-13)14-12-9/h1-4,13H,5H2
InChIKeyXBWGTELRHFNJIO-UHFFFAOYSA-N
MW194.16 g/mol
LogP1.37
Rot. Bonds2

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

[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methanol (PubChem CID 43558770) has the molecular formula C9H7FN2O2 and a molecular weight of 194.16 g/mol. Its IUPAC name is [3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methanol.

Molecular Properties

Compound Name[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methanol
PubChem CID43558770
Molecular FormulaC9H7FN2O2
Molecular Weight194.16 g/mol
Exact Mass194.05
IUPAC Name[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methanol
SMILESOCc1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C9H7FN2O2/c10-7-3-1-6(2-4-7)9-11-8(5-13)14-12-9/h1-4,13H,5H2
InChIKeyXBWGTELRHFNJIO-UHFFFAOYSA-N
XLogP1.37
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.16
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 3-(4-fluorophenyl)-1,2,4-oxadiazole-5-carboxylate
CID 1419107
Phenylmethyloxadiazole
CID 98806
(3-Phenyl-1,2,4-oxadiazol-5-yl)methanol
CID 12569958
5-Methyl-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 59981871
3-Cyclopropyl-3'-(2-fluorophenyl)-5,5'-bi-1,2,4-oxadiazole
CID 75527906
Ethyl 3-(2-fluorophenyl)-1,2,4-oxadiazole-5-carboxylate
CID 25247831
3-Phenyl-1,2,4-oxadiazole-5-carbonitrile
CID 82412177
Ethyl 3-phenyl-(1,2,4)oxadiazole-5-carboxylate
CID 6461838
3-Ethyl-3'-(2-fluorophenyl)-5,5'-bi-1,2,4-oxadiazole
CID 75527908
3-(2-Fluorophenyl)-3'-(2-methoxyethyl)-5,5'-bi-1,2,4-oxadiazole
CID 75527909
3-Ethyl-3'-(3-fluorophenyl)-5,5'-bi-1,2,4-oxadiazole
CID 75527958
3-(2-Fluorophenyl)-5-(3-propyl-1,2,4-oxadiazol-5-YL)-1,2,4-oxadiazole
CID 91917203

Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methanol?
The IUPAC name of [3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methanol (CID 43558770) is [3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methanol.
What is the SMILES notation for [3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methanol?
The canonical SMILES for [3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methanol is OCc1nc(-c2ccc(F)cc2)no1.
What is the InChIKey of [3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methanol?
The InChIKey is XBWGTELRHFNJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2O2/c10-7-3-1-6(2-4-7)9-11-8(5-13)14-12-9/h1-4,13H,5H2.
What are the key properties of [3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methanol?
[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methanol has a molecular weight of 194.16 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methanol is sourced from PubChem (CID 43558770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).