[3-fluoro-4-[5-(4-phenylbutyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol

C19H19FN2O2 — CID 90091989

IUPAC[3-fluoro-4-[5-(4-phenylbutyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol
SMILESOCc1ccc(-c2noc(CCCCc3ccccc3)n2)c(F)c1
InChIInChI=1S/C19H19FN2O2/c20-17-12-15(13-23)10-11-16(17)19-21-18(24-22-19)9-5-4-8-14-6-2-1-3-7-14/h1-3,6-7,10-12,23H,4-5,8-9,13H2
InChIKeyOAJOGUIRUZJGID-UHFFFAOYSA-N
MW326.37 g/mol
LogP3.93
Rot. Bonds7

About [3-fluoro-4-[5-(4-phenylbutyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol

[3-fluoro-4-[5-(4-phenylbutyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol (PubChem CID 90091989) has the molecular formula C19H19FN2O2 and a molecular weight of 326.37 g/mol. Its IUPAC name is [3-fluoro-4-[5-(4-phenylbutyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol.

Molecular Properties

Compound Name[3-fluoro-4-[5-(4-phenylbutyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol
PubChem CID90091989
Molecular FormulaC19H19FN2O2
Molecular Weight326.37 g/mol
Exact Mass326.14
IUPAC Name[3-fluoro-4-[5-(4-phenylbutyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol
SMILESOCc1ccc(-c2noc(CCCCc3ccccc3)n2)c(F)c1
InChIInChI=1S/C19H19FN2O2/c20-17-12-15(13-23)10-11-16(17)19-21-18(24-22-19)9-5-4-8-14-6-2-1-3-7-14/h1-3,6-7,10-12,23H,4-5,8-9,13H2
InChIKeyOAJOGUIRUZJGID-UHFFFAOYSA-N
XLogP3.93
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-fluoro-4-[5-(4-phenylbutyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol?
The IUPAC name of [3-fluoro-4-[5-(4-phenylbutyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol (CID 90091989) is [3-fluoro-4-[5-(4-phenylbutyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol.
What is the SMILES notation for [3-fluoro-4-[5-(4-phenylbutyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol?
The canonical SMILES for [3-fluoro-4-[5-(4-phenylbutyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol is OCc1ccc(-c2noc(CCCCc3ccccc3)n2)c(F)c1.
What is the InChIKey of [3-fluoro-4-[5-(4-phenylbutyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol?
The InChIKey is OAJOGUIRUZJGID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O2/c20-17-12-15(13-23)10-11-16(17)19-21-18(24-22-19)9-5-4-8-14-6-2-1-3-7-14/h1-3,6-7,10-12,23H,4-5,8-9,13H2.
What are the key properties of [3-fluoro-4-[5-(4-phenylbutyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol?
[3-fluoro-4-[5-(4-phenylbutyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol has a molecular weight of 326.37 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-4-[5-(4-phenylbutyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol is sourced from PubChem (CID 90091989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).