2-fluoro-6-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]phenol

C12H13FN2O2 — CID 112606725

IUPAC2-fluoro-6-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]phenol
SMILESCc1cc(CNCc2cccc(F)c2O)no1
InChIInChI=1S/C12H13FN2O2/c1-8-5-10(15-17-8)7-14-6-9-3-2-4-11(13)12(9)16/h2-5,14,16H,6-7H2,1H3
InChIKeyKRAXZQMOGSLGTG-UHFFFAOYSA-N
MW236.25 g/mol
LogP2.12
Rot. Bonds4

About 2-fluoro-6-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]phenol

2-fluoro-6-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]phenol (PubChem CID 112606725) has the molecular formula C12H13FN2O2 and a molecular weight of 236.25 g/mol. Its IUPAC name is 2-fluoro-6-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]phenol.

Molecular Properties

Compound Name2-fluoro-6-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]phenol
PubChem CID112606725
Molecular FormulaC12H13FN2O2
Molecular Weight236.25 g/mol
Exact Mass236.10
IUPAC Name2-fluoro-6-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]phenol
SMILESCc1cc(CNCc2cccc(F)c2O)no1
InChIInChI=1S/C12H13FN2O2/c1-8-5-10(15-17-8)7-14-6-9-3-2-4-11(13)12(9)16/h2-5,14,16H,6-7H2,1H3
InChIKeyKRAXZQMOGSLGTG-UHFFFAOYSA-N
XLogP2.12
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 52.12
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-[[(5-methyl-1,2-oxazol-3-yl)methylamino]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

2-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]-6-fluorophenol
CID 112607038
2-fluoro-6-[(1,2-oxazol-5-ylmethylamino)methyl]phenol
CID 106415448
2-fluoro-6-[[(1-methylpyrazol-3-yl)methylamino]methyl]phenol
CID 112607196
2-[[(4-ethylphenyl)methylamino]methyl]-6-fluorophenol
CID 103948313
2-[(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)methyl]-6-fluorophenol
CID 115950991
2-fluoro-6-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]phenol
CID 112606660
2-fluoro-6-[[(4-methylthiophen-3-yl)methylamino]methyl]phenol
CID 112607074
(3R)-3-amino-4-(2-fluorophenyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide
CID 11551038
1-(2,3-difluorophenyl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine
CID 51079483
1-(5-bromoquinolin-8-yl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine
CID 115959257
N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 60702122
N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-(1H-pyrrol-2-yl)methanamine
CID 62340417

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]phenol?
The IUPAC name of 2-fluoro-6-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]phenol (CID 112606725) is 2-fluoro-6-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]phenol.
What is the SMILES notation for 2-fluoro-6-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]phenol?
The canonical SMILES for 2-fluoro-6-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]phenol is Cc1cc(CNCc2cccc(F)c2O)no1.
What is the InChIKey of 2-fluoro-6-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]phenol?
The InChIKey is KRAXZQMOGSLGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O2/c1-8-5-10(15-17-8)7-14-6-9-3-2-4-11(13)12(9)16/h2-5,14,16H,6-7H2,1H3.
What are the key properties of 2-fluoro-6-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]phenol?
2-fluoro-6-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]phenol has a molecular weight of 236.25 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]phenol is sourced from PubChem (CID 112606725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).