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

C13H15FN2O2 — CID 104881394

IUPAC3-fluoro-5-[[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]methyl]phenol
SMILESCc1cnc(C(C)NCc2cc(O)cc(F)c2)o1
InChIInChI=1S/C13H15FN2O2/c1-8-6-16-13(18-8)9(2)15-7-10-3-11(14)5-12(17)4-10/h3-6,9,15,17H,7H2,1-2H3
InChIKeySCBAZNPFTRIIQA-UHFFFAOYSA-N
MW250.27 g/mol
LogP2.68
Rot. Bonds4

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

3-fluoro-5-[[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]methyl]phenol (PubChem CID 104881394) has the molecular formula C13H15FN2O2 and a molecular weight of 250.27 g/mol. Its IUPAC name is 3-fluoro-5-[[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]methyl]phenol.

Molecular Properties

Compound Name3-fluoro-5-[[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]methyl]phenol
PubChem CID104881394
Molecular FormulaC13H15FN2O2
Molecular Weight250.27 g/mol
Exact Mass250.11
IUPAC Name3-fluoro-5-[[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]methyl]phenol
SMILESCc1cnc(C(C)NCc2cc(O)cc(F)c2)o1
InChIInChI=1S/C13H15FN2O2/c1-8-6-16-13(18-8)9(2)15-7-10-3-11(14)5-12(17)4-10/h3-6,9,15,17H,7H2,1-2H3
InChIKeySCBAZNPFTRIIQA-UHFFFAOYSA-N
XLogP2.68
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 ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-bromo-5-fluorophenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine
CID 103893585
N-[(3-chloro-5-fluorophenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine
CID 104939308
3-[[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]methyl]phenol
CID 113365416
N-[(3,5-dimethylphenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine
CID 113365423
N-[(3,4-dimethylphenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine
CID 104773428
1-(5-methyl-1,3-oxazol-2-yl)-N-(thiophen-3-ylmethyl)ethanamine
CID 103893542
1-(5-methyl-1,3-oxazol-2-yl)-N-[(4-methylsulfanylphenyl)methyl]ethanamine
CID 113347391
2-methoxy-4-[[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]methyl]phenol
CID 106388011
1-(5-methyl-1,3-oxazol-2-yl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
CID 113347384
N-[(2-bromo-4-fluorophenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine
CID 113347390
(1R)-1-(5-methyl-1,3-oxazol-2-yl)-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]ethanamine
CID 97347458
2-[4-[[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]methyl]phenyl]propanoic acid
CID 106388931

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]methyl]phenol?
The IUPAC name of 3-fluoro-5-[[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]methyl]phenol (CID 104881394) is 3-fluoro-5-[[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]methyl]phenol.
What is the SMILES notation for 3-fluoro-5-[[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]methyl]phenol?
The canonical SMILES for 3-fluoro-5-[[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]methyl]phenol is Cc1cnc(C(C)NCc2cc(O)cc(F)c2)o1.
What is the InChIKey of 3-fluoro-5-[[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]methyl]phenol?
The InChIKey is SCBAZNPFTRIIQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2/c1-8-6-16-13(18-8)9(2)15-7-10-3-11(14)5-12(17)4-10/h3-6,9,15,17H,7H2,1-2H3.
What are the key properties of 3-fluoro-5-[[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]methyl]phenol?
3-fluoro-5-[[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]methyl]phenol has a molecular weight of 250.27 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-[[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]methyl]phenol is sourced from PubChem (CID 104881394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).