[2-(3-chloro-2-fluorophenoxy)-1,3-oxazol-4-yl]methanamine

C10H8ClFN2O2 — CID 116690089

IUPAC[2-(3-chloro-2-fluorophenoxy)-1,3-oxazol-4-yl]methanamine
SMILESNCc1coc(Oc2cccc(Cl)c2F)n1
InChIInChI=1S/C10H8ClFN2O2/c11-7-2-1-3-8(9(7)12)16-10-14-6(4-13)5-15-10/h1-3,5H,4,13H2
InChIKeyHJTWWNZZJSJVLA-UHFFFAOYSA-N
MW242.64 g/mol
LogP2.72
Rot. Bonds3

About [2-(3-chloro-2-fluorophenoxy)-1,3-oxazol-4-yl]methanamine

[2-(3-chloro-2-fluorophenoxy)-1,3-oxazol-4-yl]methanamine (PubChem CID 116690089) has the molecular formula C10H8ClFN2O2 and a molecular weight of 242.64 g/mol. Its IUPAC name is [2-(3-chloro-2-fluorophenoxy)-1,3-oxazol-4-yl]methanamine.

Molecular Properties

Compound Name[2-(3-chloro-2-fluorophenoxy)-1,3-oxazol-4-yl]methanamine
PubChem CID116690089
Molecular FormulaC10H8ClFN2O2
Molecular Weight242.64 g/mol
Exact Mass242.03
IUPAC Name[2-(3-chloro-2-fluorophenoxy)-1,3-oxazol-4-yl]methanamine
SMILESNCc1coc(Oc2cccc(Cl)c2F)n1
InChIInChI=1S/C10H8ClFN2O2/c11-7-2-1-3-8(9(7)12)16-10-14-6(4-13)5-15-10/h1-3,5H,4,13H2
InChIKeyHJTWWNZZJSJVLA-UHFFFAOYSA-N
XLogP2.72
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.64
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-fluoro-3-methylphenoxy)-1,3-oxazol-4-yl]methanol
CID 107660027
1-chloro-3-(3-chloro-2-fluorophenoxy)-2-fluorobenzene
CID 141078897
[2-(2-propoxyphenoxy)-1,3-oxazol-4-yl]methanamine
CID 113377974
[4-(3-chloro-2-fluorophenoxy)-3-pyridinyl]methanamine
CID 116689981
4-bromo-2-(2-chlorophenoxy)-1,3-oxazole
CID 117188870
[5-[(3-chloro-2-fluorophenoxy)methyl]furan-3-yl]methanamine
CID 116690352
[6-(2,3-difluorophenoxy)-2-pyridinyl]methanamine
CID 63035930
2-(3-chloro-2-fluorophenoxy)-2-methylpropan-1-amine
CID 116688788
[5-bromo-2-(3-chloro-2-fluorophenoxy)phenyl]methanamine
CID 114889959
[6-(3-chloro-2-fluorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 116689579
1-chloro-3-[4-(chloromethyl)phenoxy]-2-fluorobenzene
CID 116689418
1-chloro-2-fluoro-3-(trichloromethoxy)benzene
CID 71669471

Frequently Asked Questions

What is the IUPAC name of [2-(3-chloro-2-fluorophenoxy)-1,3-oxazol-4-yl]methanamine?
The IUPAC name of [2-(3-chloro-2-fluorophenoxy)-1,3-oxazol-4-yl]methanamine (CID 116690089) is [2-(3-chloro-2-fluorophenoxy)-1,3-oxazol-4-yl]methanamine.
What is the SMILES notation for [2-(3-chloro-2-fluorophenoxy)-1,3-oxazol-4-yl]methanamine?
The canonical SMILES for [2-(3-chloro-2-fluorophenoxy)-1,3-oxazol-4-yl]methanamine is NCc1coc(Oc2cccc(Cl)c2F)n1.
What is the InChIKey of [2-(3-chloro-2-fluorophenoxy)-1,3-oxazol-4-yl]methanamine?
The InChIKey is HJTWWNZZJSJVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN2O2/c11-7-2-1-3-8(9(7)12)16-10-14-6(4-13)5-15-10/h1-3,5H,4,13H2.
What are the key properties of [2-(3-chloro-2-fluorophenoxy)-1,3-oxazol-4-yl]methanamine?
[2-(3-chloro-2-fluorophenoxy)-1,3-oxazol-4-yl]methanamine has a molecular weight of 242.64 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chloro-2-fluorophenoxy)-1,3-oxazol-4-yl]methanamine is sourced from PubChem (CID 116690089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).