2-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]-6-fluorophenol

C13H15FN2O2 — CID 112607038

IUPAC2-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]-6-fluorophenol
SMILESCc1noc(C)c1CNCc1cccc(F)c1O
InChIInChI=1S/C13H15FN2O2/c1-8-11(9(2)18-16-8)7-15-6-10-4-3-5-12(14)13(10)17/h3-5,15,17H,6-7H2,1-2H3
InChIKeyGZGOCZVCKSRFCT-UHFFFAOYSA-N
MW250.27 g/mol
LogP2.43
Rot. Bonds4

About 2-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]-6-fluorophenol

2-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]-6-fluorophenol (PubChem CID 112607038) has the molecular formula C13H15FN2O2 and a molecular weight of 250.27 g/mol. Its IUPAC name is 2-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]-6-fluorophenol.

Molecular Properties

Compound Name2-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]-6-fluorophenol
PubChem CID112607038
Molecular FormulaC13H15FN2O2
Molecular Weight250.27 g/mol
Exact Mass250.11
IUPAC Name2-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]-6-fluorophenol
SMILESCc1noc(C)c1CNCc1cccc(F)c1O
InChIInChI=1S/C13H15FN2O2/c1-8-11(9(2)18-16-8)7-15-6-10-4-3-5-12(14)13(10)17/h3-5,15,17H,6-7H2,1-2H3
InChIKeyGZGOCZVCKSRFCT-UHFFFAOYSA-N
XLogP2.43
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-6-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]phenol
CID 112606725
2-fluoro-6-[(1,2-oxazol-5-ylmethylamino)methyl]phenol
CID 106415448
1-(2-bromo-5-fluorophenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]methanamine
CID 60961090
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
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethanamine
CID 28780717
1-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]naphthalen-2-ol
CID 78916549
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[2-(2-fluorophenyl)ethyl]urea
CID 47862975
1-(3,5-difluorophenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]methanamine
CID 115579772
2-[[(4-ethylphenyl)methylamino]methyl]-6-fluorophenol
CID 103948313
1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine
CID 82733516
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(1H-pyrrol-2-yl)methanamine
CID 79235965

Frequently Asked Questions

What is the IUPAC name of 2-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]-6-fluorophenol?
The IUPAC name of 2-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]-6-fluorophenol (CID 112607038) is 2-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]-6-fluorophenol.
What is the SMILES notation for 2-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]-6-fluorophenol?
The canonical SMILES for 2-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]-6-fluorophenol is Cc1noc(C)c1CNCc1cccc(F)c1O.
What is the InChIKey of 2-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]-6-fluorophenol?
The InChIKey is GZGOCZVCKSRFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2/c1-8-11(9(2)18-16-8)7-15-6-10-4-3-5-12(14)13(10)17/h3-5,15,17H,6-7H2,1-2H3.
What are the key properties of 2-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]-6-fluorophenol?
2-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]-6-fluorophenol has a molecular weight of 250.27 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]-6-fluorophenol is sourced from PubChem (CID 112607038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).