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

C11H11FN2O2 — CID 117317602

IUPAC4-(4-fluoro-3-methoxy-5-methylphenyl)-1,2-oxazol-5-amine
SMILESCOc1cc(-c2cnoc2N)cc(C)c1F
InChIInChI=1S/C11H11FN2O2/c1-6-3-7(4-9(15-2)10(6)12)8-5-14-16-11(8)13/h3-5H,13H2,1-2H3
InChIKeyQXUACRKMAYDDBW-UHFFFAOYSA-N
MW222.22 g/mol
LogP2.38
Rot. Bonds2

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

4-(4-fluoro-3-methoxy-5-methylphenyl)-1,2-oxazol-5-amine (PubChem CID 117317602) has the molecular formula C11H11FN2O2 and a molecular weight of 222.22 g/mol. Its IUPAC name is 4-(4-fluoro-3-methoxy-5-methylphenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(4-fluoro-3-methoxy-5-methylphenyl)-1,2-oxazol-5-amine
PubChem CID117317602
Molecular FormulaC11H11FN2O2
Molecular Weight222.22 g/mol
Exact Mass222.08
IUPAC Name4-(4-fluoro-3-methoxy-5-methylphenyl)-1,2-oxazol-5-amine
SMILESCOc1cc(-c2cnoc2N)cc(C)c1F
InChIInChI=1S/C11H11FN2O2/c1-6-3-7(4-9(15-2)10(6)12)8-5-14-16-11(8)13/h3-5H,13H2,1-2H3
InChIKeyQXUACRKMAYDDBW-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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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-3-methoxy-5-methylphenyl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(4-fluoro-3-methoxy-5-methylphenyl)-1,2-oxazol-5-amine (CID 117317602) is 4-(4-fluoro-3-methoxy-5-methylphenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(4-fluoro-3-methoxy-5-methylphenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(4-fluoro-3-methoxy-5-methylphenyl)-1,2-oxazol-5-amine is COc1cc(-c2cnoc2N)cc(C)c1F.
What is the InChIKey of 4-(4-fluoro-3-methoxy-5-methylphenyl)-1,2-oxazol-5-amine?
The InChIKey is QXUACRKMAYDDBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O2/c1-6-3-7(4-9(15-2)10(6)12)8-5-14-16-11(8)13/h3-5H,13H2,1-2H3.
What are the key properties of 4-(4-fluoro-3-methoxy-5-methylphenyl)-1,2-oxazol-5-amine?
4-(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 4-(4-fluoro-3-methoxy-5-methylphenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 117317602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).