4-fluoro-2-[1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]ethyl]phenol

C13H16FN3O2 — CID 104583920

IUPAC4-fluoro-2-[1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]ethyl]phenol
SMILESCc1nc(CCNC(C)c2cc(F)ccc2O)no1
InChIInChI=1S/C13H16FN3O2/c1-8(11-7-10(14)3-4-12(11)18)15-6-5-13-16-9(2)19-17-13/h3-4,7-8,15,18H,5-6H2,1-2H3
InChIKeyLMOKYFZXEMBKDO-UHFFFAOYSA-N
MW265.29 g/mol
LogP2.12
Rot. Bonds5

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

4-fluoro-2-[1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]ethyl]phenol (PubChem CID 104583920) has the molecular formula C13H16FN3O2 and a molecular weight of 265.29 g/mol. Its IUPAC name is 4-fluoro-2-[1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]ethyl]phenol.

Molecular Properties

Compound Name4-fluoro-2-[1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]ethyl]phenol
PubChem CID104583920
Molecular FormulaC13H16FN3O2
Molecular Weight265.29 g/mol
Exact Mass265.12
IUPAC Name4-fluoro-2-[1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]ethyl]phenol
SMILESCc1nc(CCNC(C)c2cc(F)ccc2O)no1
InChIInChI=1S/C13H16FN3O2/c1-8(11-7-10(14)3-4-12(11)18)15-6-5-13-16-9(2)19-17-13/h3-4,7-8,15,18H,5-6H2,1-2H3
InChIKeyLMOKYFZXEMBKDO-UHFFFAOYSA-N
XLogP2.12
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 52.12
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-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]ethyl]benzene-1,3-diol
CID 106413806
1-(2-methoxyphenyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]ethanamine
CID 103931481
4-fluoro-2-[(1S)-1-(2-methoxyethylamino)ethyl]phenol
CID 97050882
4-fluoro-2-[1-(1,2,4-oxadiazol-3-ylmethylamino)ethyl]phenol
CID 114183050
5-methyl-2-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]ethyl]phenol
CID 114182895
1-(5-methylfuran-2-yl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]ethanamine
CID 103931631
4-fluoro-2-[1-(2-methoxypropylamino)ethyl]phenol
CID 102696874
4-fluoro-2-[1-(2,2,3-trimethylbutylamino)ethyl]phenol
CID 102613622
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1-(1H-pyrazol-5-yl)ethanamine
CID 106413333
4-fluoro-2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 103820316
1-(2-fluorophenyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine
CID 103949567
4-fluoro-2-(1-hydrazinylethyl)phenol
CID 53402356

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]ethyl]phenol?
The IUPAC name of 4-fluoro-2-[1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]ethyl]phenol (CID 104583920) is 4-fluoro-2-[1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]ethyl]phenol.
What is the SMILES notation for 4-fluoro-2-[1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]ethyl]phenol?
The canonical SMILES for 4-fluoro-2-[1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]ethyl]phenol is Cc1nc(CCNC(C)c2cc(F)ccc2O)no1.
What is the InChIKey of 4-fluoro-2-[1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]ethyl]phenol?
The InChIKey is LMOKYFZXEMBKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O2/c1-8(11-7-10(14)3-4-12(11)18)15-6-5-13-16-9(2)19-17-13/h3-4,7-8,15,18H,5-6H2,1-2H3.
What are the key properties of 4-fluoro-2-[1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]ethyl]phenol?
4-fluoro-2-[1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]ethyl]phenol has a molecular weight of 265.29 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]ethyl]phenol is sourced from PubChem (CID 104583920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).