3-(4-fluoro-3-methoxy-5-methylphenyl)-1,2-oxazol-5-amine

C11H11FN2O2 — CID 117317570

IUPAC3-(4-fluoro-3-methoxy-5-methylphenyl)-1,2-oxazol-5-amine
SMILESCOc1cc(-c2cc(N)on2)cc(C)c1F
InChIInChI=1S/C11H11FN2O2/c1-6-3-7(4-9(15-2)11(6)12)8-5-10(13)16-14-8/h3-5H,13H2,1-2H3
InChIKeyQZDWDOJMUVQEBX-UHFFFAOYSA-N
MW222.22 g/mol
LogP2.38
Rot. Bonds2

About 3-(4-fluoro-3-methoxy-5-methylphenyl)-1,2-oxazol-5-amine

3-(4-fluoro-3-methoxy-5-methylphenyl)-1,2-oxazol-5-amine (PubChem CID 117317570) has the molecular formula C11H11FN2O2 and a molecular weight of 222.22 g/mol. Its IUPAC name is 3-(4-fluoro-3-methoxy-5-methylphenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(4-fluoro-3-methoxy-5-methylphenyl)-1,2-oxazol-5-amine
PubChem CID117317570
Molecular FormulaC11H11FN2O2
Molecular Weight222.22 g/mol
Exact Mass222.08
IUPAC Name3-(4-fluoro-3-methoxy-5-methylphenyl)-1,2-oxazol-5-amine
SMILESCOc1cc(-c2cc(N)on2)cc(C)c1F
InChIInChI=1S/C11H11FN2O2/c1-6-3-7(4-9(15-2)11(6)12)8-5-10(13)16-14-8/h3-5H,13H2,1-2H3
InChIKeyQZDWDOJMUVQEBX-UHFFFAOYSA-N
XLogP2.38
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chloro-3-fluoro-5-methoxyphenyl)-1,2-oxazol-5-amine
CID 117358441
3-(4-fluoro-3-methoxy-5-methylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117380389
3-(3-bromo-4-methoxy-5-methylphenyl)-1,2-oxazol-5-amine
CID 117454864
3-(5-amino-1,2-oxazol-3-yl)-2,4-difluoro-5-methoxyphenol
CID 117356931
3-(5-amino-1,2-oxazol-3-yl)-2,6-difluoro-5-methoxyphenol
CID 117356932
3-(3-tert-butyl-4-methoxy-5-methylphenyl)-1,2-oxazol-5-amine
CID 117405269
3-(5-bromo-2-fluoro-4-methoxyphenyl)-1,2-oxazol-5-amine
CID 117462618
5-(5-amino-1,2-oxazol-3-yl)-2-hydroxy-3-methoxybenzoic acid
CID 136998086
3-(3-methoxy-4-propan-2-ylphenyl)-1,2-oxazol-5-amine
CID 117336518
[3-(4-fluoro-3-methoxy-5-methylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117346150
3-(2-fluoro-3,5-dimethylphenyl)-1,2-oxazol-5-amine
CID 117294555
3-(4-bromo-2,5-dimethoxyphenyl)-1,2-oxazol-5-amine
CID 3407261

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-3-methoxy-5-methylphenyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(4-fluoro-3-methoxy-5-methylphenyl)-1,2-oxazol-5-amine (CID 117317570) is 3-(4-fluoro-3-methoxy-5-methylphenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(4-fluoro-3-methoxy-5-methylphenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(4-fluoro-3-methoxy-5-methylphenyl)-1,2-oxazol-5-amine is COc1cc(-c2cc(N)on2)cc(C)c1F.
What is the InChIKey of 3-(4-fluoro-3-methoxy-5-methylphenyl)-1,2-oxazol-5-amine?
The InChIKey is QZDWDOJMUVQEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O2/c1-6-3-7(4-9(15-2)11(6)12)8-5-10(13)16-14-8/h3-5H,13H2,1-2H3.
What are the key properties of 3-(4-fluoro-3-methoxy-5-methylphenyl)-1,2-oxazol-5-amine?
3-(4-fluoro-3-methoxy-5-methylphenyl)-1,2-oxazol-5-amine has a molecular weight of 222.22 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-3-methoxy-5-methylphenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 117317570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).