3-[4-fluoro-2-(methoxymethyl)phenyl]-1,2-oxazol-5-amine

C11H11FN2O2 — CID 117317629

IUPAC3-[4-fluoro-2-(methoxymethyl)phenyl]-1,2-oxazol-5-amine
SMILESCOCc1cc(F)ccc1-c1cc(N)on1
InChIInChI=1S/C11H11FN2O2/c1-15-6-7-4-8(12)2-3-9(7)10-5-11(13)16-14-10/h2-5H,6,13H2,1H3
InChIKeyJGQGZKIUTDUTGL-UHFFFAOYSA-N
MW222.22 g/mol
LogP2.21
Rot. Bonds3

About 3-[4-fluoro-2-(methoxymethyl)phenyl]-1,2-oxazol-5-amine

3-[4-fluoro-2-(methoxymethyl)phenyl]-1,2-oxazol-5-amine (PubChem CID 117317629) has the molecular formula C11H11FN2O2 and a molecular weight of 222.22 g/mol. Its IUPAC name is 3-[4-fluoro-2-(methoxymethyl)phenyl]-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-[4-fluoro-2-(methoxymethyl)phenyl]-1,2-oxazol-5-amine
PubChem CID117317629
Molecular FormulaC11H11FN2O2
Molecular Weight222.22 g/mol
Exact Mass222.08
IUPAC Name3-[4-fluoro-2-(methoxymethyl)phenyl]-1,2-oxazol-5-amine
SMILESCOCc1cc(F)ccc1-c1cc(N)on1
InChIInChI=1S/C11H11FN2O2/c1-15-6-7-4-8(12)2-3-9(7)10-5-11(13)16-14-10/h2-5H,6,13H2,1H3
InChIKeyJGQGZKIUTDUTGL-UHFFFAOYSA-N
XLogP2.21
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2,5-dimethoxy-4-(methoxymethyl)phenyl]-1,2-oxazol-5-amine
CID 117414909
4-fluoro-2-(methoxymethyl)aniline;hydrochloride
CID 75481190
3-[5-(fluoromethyl)-2,4-dimethoxyphenyl]-1,2-oxazol-5-amine
CID 117383350
3-[2,6-dimethoxy-4-(methoxymethyl)phenyl]-1,2-oxazol-5-amine
CID 117414895
3-(5-amino-1,2-oxazol-3-yl)-2,6-difluoro-5-methoxyphenol
CID 117356932
2-(5-amino-1,2-oxazol-3-yl)-5-fluoro-4-methoxyphenol
CID 136968465
3-[4-bromo-2-methoxy-6-(methoxymethyl)phenyl]-1,2-oxazol-5-amine
CID 117498194
3-(5-bromo-2-fluoro-4-methoxyphenyl)-1,2-oxazol-5-amine
CID 117462618
[5-fluoro-2-(methoxymethyl)phenyl]methanamine
CID 63289386
3-[6-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]-1,2-oxazol-5-amine
CID 117409856
3-(4-fluoro-2-morpholin-4-ylphenyl)-1,2-oxazol-5-amine
CID 115112379
3-(2-chloro-3-fluoro-4-methylphenyl)-1,2-oxazol-5-amine
CID 117325881

Frequently Asked Questions

What is the IUPAC name of 3-[4-fluoro-2-(methoxymethyl)phenyl]-1,2-oxazol-5-amine?
The IUPAC name of 3-[4-fluoro-2-(methoxymethyl)phenyl]-1,2-oxazol-5-amine (CID 117317629) is 3-[4-fluoro-2-(methoxymethyl)phenyl]-1,2-oxazol-5-amine.
What is the SMILES notation for 3-[4-fluoro-2-(methoxymethyl)phenyl]-1,2-oxazol-5-amine?
The canonical SMILES for 3-[4-fluoro-2-(methoxymethyl)phenyl]-1,2-oxazol-5-amine is COCc1cc(F)ccc1-c1cc(N)on1.
What is the InChIKey of 3-[4-fluoro-2-(methoxymethyl)phenyl]-1,2-oxazol-5-amine?
The InChIKey is JGQGZKIUTDUTGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O2/c1-15-6-7-4-8(12)2-3-9(7)10-5-11(13)16-14-10/h2-5H,6,13H2,1H3.
What are the key properties of 3-[4-fluoro-2-(methoxymethyl)phenyl]-1,2-oxazol-5-amine?
3-[4-fluoro-2-(methoxymethyl)phenyl]-1,2-oxazol-5-amine has a molecular weight of 222.22 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-fluoro-2-(methoxymethyl)phenyl]-1,2-oxazol-5-amine is sourced from PubChem (CID 117317629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).