4-fluoro-2-[1-(1,2,4-oxadiazol-3-ylmethylamino)ethyl]phenol

C11H12FN3O2 — CID 114183050

IUPAC4-fluoro-2-[1-(1,2,4-oxadiazol-3-ylmethylamino)ethyl]phenol
SMILESCC(NCc1ncon1)c1cc(F)ccc1O
InChIInChI=1S/C11H12FN3O2/c1-7(13-5-11-14-6-17-15-11)9-4-8(12)2-3-10(9)16/h2-4,6-7,13,16H,5H2,1H3
InChIKeyYPSYIGDZTGQEKU-UHFFFAOYSA-N
MW237.23 g/mol
LogP1.77
Rot. Bonds4

About 4-fluoro-2-[1-(1,2,4-oxadiazol-3-ylmethylamino)ethyl]phenol

4-fluoro-2-[1-(1,2,4-oxadiazol-3-ylmethylamino)ethyl]phenol (PubChem CID 114183050) has the molecular formula C11H12FN3O2 and a molecular weight of 237.23 g/mol. Its IUPAC name is 4-fluoro-2-[1-(1,2,4-oxadiazol-3-ylmethylamino)ethyl]phenol.

Molecular Properties

Compound Name4-fluoro-2-[1-(1,2,4-oxadiazol-3-ylmethylamino)ethyl]phenol
PubChem CID114183050
Molecular FormulaC11H12FN3O2
Molecular Weight237.23 g/mol
Exact Mass237.09
IUPAC Name4-fluoro-2-[1-(1,2,4-oxadiazol-3-ylmethylamino)ethyl]phenol
SMILESCC(NCc1ncon1)c1cc(F)ccc1O
InChIInChI=1S/C11H12FN3O2/c1-7(13-5-11-14-6-17-15-11)9-4-8(12)2-3-10(9)16/h2-4,6-7,13,16H,5H2,1H3
InChIKeyYPSYIGDZTGQEKU-UHFFFAOYSA-N
XLogP1.77
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.23
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[1-[2-(1,2,4-oxadiazol-3-yl)ethylamino]ethyl]phenol
CID 114183507
1-(2,5-dimethylphenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine
CID 106393492
4-fluoro-2-[1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]ethyl]phenol
CID 104583920
1-(2,6-difluorophenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine
CID 114182910
4-fluoro-2-[1-(2,2,3-trimethylbutylamino)ethyl]phenol
CID 102613622
4-fluoro-2-[(1S)-1-(2-methoxyethylamino)ethyl]phenol
CID 97050882
2-[1-(1,2,4-oxadiazol-3-ylmethylamino)propyl]phenol
CID 114183127
4-fluoro-2-[1-[(1-methylpyrazol-3-yl)methylamino]ethyl]phenol
CID 82882474
1-(2,5-dichlorothiophen-3-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine
CID 106393008
4-fluoro-2-[1-(2-methoxypropylamino)ethyl]phenol
CID 102696874
2-[1-(1,2-oxazol-3-ylmethylamino)ethyl]benzene-1,4-diol
CID 81171172
4-fluoro-2-(1-hydrazinylethyl)phenol
CID 53402356

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[1-(1,2,4-oxadiazol-3-ylmethylamino)ethyl]phenol?
The IUPAC name of 4-fluoro-2-[1-(1,2,4-oxadiazol-3-ylmethylamino)ethyl]phenol (CID 114183050) is 4-fluoro-2-[1-(1,2,4-oxadiazol-3-ylmethylamino)ethyl]phenol.
What is the SMILES notation for 4-fluoro-2-[1-(1,2,4-oxadiazol-3-ylmethylamino)ethyl]phenol?
The canonical SMILES for 4-fluoro-2-[1-(1,2,4-oxadiazol-3-ylmethylamino)ethyl]phenol is CC(NCc1ncon1)c1cc(F)ccc1O.
What is the InChIKey of 4-fluoro-2-[1-(1,2,4-oxadiazol-3-ylmethylamino)ethyl]phenol?
The InChIKey is YPSYIGDZTGQEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O2/c1-7(13-5-11-14-6-17-15-11)9-4-8(12)2-3-10(9)16/h2-4,6-7,13,16H,5H2,1H3.
What are the key properties of 4-fluoro-2-[1-(1,2,4-oxadiazol-3-ylmethylamino)ethyl]phenol?
4-fluoro-2-[1-(1,2,4-oxadiazol-3-ylmethylamino)ethyl]phenol has a molecular weight of 237.23 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[1-(1,2,4-oxadiazol-3-ylmethylamino)ethyl]phenol is sourced from PubChem (CID 114183050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).