[5-(5-fluoro-2-methoxyphenyl)-1,2-oxazol-3-yl]methanamine

C11H11FN2O2 — CID 82472973

IUPAC[5-(5-fluoro-2-methoxyphenyl)-1,2-oxazol-3-yl]methanamine
SMILESCOc1ccc(F)cc1-c1cc(CN)no1
InChIInChI=1S/C11H11FN2O2/c1-15-10-3-2-7(12)4-9(10)11-5-8(6-13)14-16-11/h2-5H,6,13H2,1H3
InChIKeyJPOYWUGTLPIRIZ-UHFFFAOYSA-N
MW222.22 g/mol
LogP1.95
Rot. Bonds3

About [5-(5-fluoro-2-methoxyphenyl)-1,2-oxazol-3-yl]methanamine

[5-(5-fluoro-2-methoxyphenyl)-1,2-oxazol-3-yl]methanamine (PubChem CID 82472973) has the molecular formula C11H11FN2O2 and a molecular weight of 222.22 g/mol. Its IUPAC name is [5-(5-fluoro-2-methoxyphenyl)-1,2-oxazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-(5-fluoro-2-methoxyphenyl)-1,2-oxazol-3-yl]methanamine
PubChem CID82472973
Molecular FormulaC11H11FN2O2
Molecular Weight222.22 g/mol
Exact Mass222.08
IUPAC Name[5-(5-fluoro-2-methoxyphenyl)-1,2-oxazol-3-yl]methanamine
SMILESCOc1ccc(F)cc1-c1cc(CN)no1
InChIInChI=1S/C11H11FN2O2/c1-15-10-3-2-7(12)4-9(10)11-5-8(6-13)14-16-11/h2-5H,6,13H2,1H3
InChIKeyJPOYWUGTLPIRIZ-UHFFFAOYSA-N
XLogP1.95
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 ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(5-fluoro-2-methoxyphenyl)-3-methyl-1,2-oxazole
CID 116868898
[5-(2,4-dimethoxy-3-methylphenyl)-1,2-oxazol-3-yl]methanamine
CID 82480208
1-[5-(5-fluoro-2-methoxyphenyl)-1,2-oxazol-3-yl]ethanone
CID 82129338
2-[5-(2-methoxy-5-propan-2-ylphenyl)-1,2-oxazol-3-yl]ethanamine
CID 96665567
[5-(5-bromo-2-methoxyphenyl)-1,2-oxazol-3-yl]methanethiol
CID 82160263
[5-(5-tert-butyl-2-methoxyphenyl)-1,2-oxazol-3-yl]methanol
CID 82049731
2-[5-(4-methoxy-2,3-dimethylphenyl)-1,2-oxazol-3-yl]ethanamine
CID 82479464
[4-(5-fluoro-2-methoxyphenyl)-6-methyl-1,3,5-triazin-2-yl]methanamine
CID 82480164
(5-fluoro-2-methoxyphenyl)methanamine
CID 18348829
3-ethyl-4-(5-fluoro-2-methoxyphenyl)-1,2-oxazol-5-amine
CID 82083559
[3-(5-fluoro-2-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-6-yl]methanamine
CID 98020701
N-[[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine
CID 79020183

Frequently Asked Questions

What is the IUPAC name of [5-(5-fluoro-2-methoxyphenyl)-1,2-oxazol-3-yl]methanamine?
The IUPAC name of [5-(5-fluoro-2-methoxyphenyl)-1,2-oxazol-3-yl]methanamine (CID 82472973) is [5-(5-fluoro-2-methoxyphenyl)-1,2-oxazol-3-yl]methanamine.
What is the SMILES notation for [5-(5-fluoro-2-methoxyphenyl)-1,2-oxazol-3-yl]methanamine?
The canonical SMILES for [5-(5-fluoro-2-methoxyphenyl)-1,2-oxazol-3-yl]methanamine is COc1ccc(F)cc1-c1cc(CN)no1.
What is the InChIKey of [5-(5-fluoro-2-methoxyphenyl)-1,2-oxazol-3-yl]methanamine?
The InChIKey is JPOYWUGTLPIRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O2/c1-15-10-3-2-7(12)4-9(10)11-5-8(6-13)14-16-11/h2-5H,6,13H2,1H3.
What are the key properties of [5-(5-fluoro-2-methoxyphenyl)-1,2-oxazol-3-yl]methanamine?
[5-(5-fluoro-2-methoxyphenyl)-1,2-oxazol-3-yl]methanamine has a molecular weight of 222.22 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(5-fluoro-2-methoxyphenyl)-1,2-oxazol-3-yl]methanamine is sourced from PubChem (CID 82472973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).