2-fluoro-6-[(1,2-oxazol-5-ylmethylamino)methyl]phenol

C11H11FN2O2 — CID 106415448

IUPAC2-fluoro-6-[(1,2-oxazol-5-ylmethylamino)methyl]phenol
SMILESOc1c(F)cccc1CNCc1ccno1
InChIInChI=1S/C11H11FN2O2/c12-10-3-1-2-8(11(10)15)6-13-7-9-4-5-14-16-9/h1-5,13,15H,6-7H2
InChIKeyXYARHEOMYXJISZ-UHFFFAOYSA-N
MW222.22 g/mol
LogP1.81
Rot. Bonds4

About 2-fluoro-6-[(1,2-oxazol-5-ylmethylamino)methyl]phenol

2-fluoro-6-[(1,2-oxazol-5-ylmethylamino)methyl]phenol (PubChem CID 106415448) has the molecular formula C11H11FN2O2 and a molecular weight of 222.22 g/mol. Its IUPAC name is 2-fluoro-6-[(1,2-oxazol-5-ylmethylamino)methyl]phenol.

Molecular Properties

Compound Name2-fluoro-6-[(1,2-oxazol-5-ylmethylamino)methyl]phenol
PubChem CID106415448
Molecular FormulaC11H11FN2O2
Molecular Weight222.22 g/mol
Exact Mass222.08
IUPAC Name2-fluoro-6-[(1,2-oxazol-5-ylmethylamino)methyl]phenol
SMILESOc1c(F)cccc1CNCc1ccno1
InChIInChI=1S/C11H11FN2O2/c12-10-3-1-2-8(11(10)15)6-13-7-9-4-5-14-16-9/h1-5,13,15H,6-7H2
InChIKeyXYARHEOMYXJISZ-UHFFFAOYSA-N
XLogP1.81
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-fluoro-6-[(1,2-oxazol-5-ylmethylamino)methyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1,2-oxazol-5-yl)-N-(1,2-oxazol-5-ylmethyl)methanamine
CID 165349203
2,6-difluoro-4-[(1,2-oxazol-5-ylmethylamino)methyl]phenol
CID 106415418
4-chloro-2-[(1,2-oxazol-5-ylmethylamino)methyl]phenol
CID 106415014
2-fluoro-6-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]phenol
CID 112606725
2-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]-6-fluorophenol
CID 112607038
1-(2-methoxyphenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine
CID 103605023
1-(2,3-dimethoxyphenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine
CID 106415154
2-[[(4-ethylphenyl)methylamino]methyl]-6-fluorophenol
CID 103948313
2-fluoro-6-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]phenol
CID 112606660
N-[2-[(3-fluoro-2-hydroxyphenyl)methylamino]ethyl]-2-methylpropanamide
CID 112606293
1-(4-fluorophenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine
CID 103605027
2-fluoro-6-[[(1-methylpyrazol-3-yl)methylamino]methyl]phenol
CID 112607196

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[(1,2-oxazol-5-ylmethylamino)methyl]phenol?
The IUPAC name of 2-fluoro-6-[(1,2-oxazol-5-ylmethylamino)methyl]phenol (CID 106415448) is 2-fluoro-6-[(1,2-oxazol-5-ylmethylamino)methyl]phenol.
What is the SMILES notation for 2-fluoro-6-[(1,2-oxazol-5-ylmethylamino)methyl]phenol?
The canonical SMILES for 2-fluoro-6-[(1,2-oxazol-5-ylmethylamino)methyl]phenol is Oc1c(F)cccc1CNCc1ccno1.
What is the InChIKey of 2-fluoro-6-[(1,2-oxazol-5-ylmethylamino)methyl]phenol?
The InChIKey is XYARHEOMYXJISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O2/c12-10-3-1-2-8(11(10)15)6-13-7-9-4-5-14-16-9/h1-5,13,15H,6-7H2.
What are the key properties of 2-fluoro-6-[(1,2-oxazol-5-ylmethylamino)methyl]phenol?
2-fluoro-6-[(1,2-oxazol-5-ylmethylamino)methyl]phenol has a molecular weight of 222.22 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[(1,2-oxazol-5-ylmethylamino)methyl]phenol is sourced from PubChem (CID 106415448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).