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

C10H9FN2O2 — CID 117297114

IUPAC4-(4-fluoro-3-methoxyphenyl)-1,2-oxazol-5-amine
SMILESCOc1cc(-c2cnoc2N)ccc1F
InChIInChI=1S/C10H9FN2O2/c1-14-9-4-6(2-3-8(9)11)7-5-13-15-10(7)12/h2-5H,12H2,1H3
InChIKeyPUOOZWZLWGEPFR-UHFFFAOYSA-N
MW208.19 g/mol
LogP2.07
Rot. Bonds2

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

4-(4-fluoro-3-methoxyphenyl)-1,2-oxazol-5-amine (PubChem CID 117297114) has the molecular formula C10H9FN2O2 and a molecular weight of 208.19 g/mol. Its IUPAC name is 4-(4-fluoro-3-methoxyphenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(4-fluoro-3-methoxyphenyl)-1,2-oxazol-5-amine
PubChem CID117297114
Molecular FormulaC10H9FN2O2
Molecular Weight208.19 g/mol
Exact Mass208.06
IUPAC Name4-(4-fluoro-3-methoxyphenyl)-1,2-oxazol-5-amine
SMILESCOc1cc(-c2cnoc2N)ccc1F
InChIInChI=1S/C10H9FN2O2/c1-14-9-4-6(2-3-8(9)11)7-5-13-15-10(7)12/h2-5H,12H2,1H3
InChIKeyPUOOZWZLWGEPFR-UHFFFAOYSA-N
XLogP2.07
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.19
LogP ≤ 52.07
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-methoxyphenyl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(4-fluoro-3-methoxyphenyl)-1,2-oxazol-5-amine (CID 117297114) is 4-(4-fluoro-3-methoxyphenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(4-fluoro-3-methoxyphenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(4-fluoro-3-methoxyphenyl)-1,2-oxazol-5-amine is COc1cc(-c2cnoc2N)ccc1F.
What is the InChIKey of 4-(4-fluoro-3-methoxyphenyl)-1,2-oxazol-5-amine?
The InChIKey is PUOOZWZLWGEPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O2/c1-14-9-4-6(2-3-8(9)11)7-5-13-15-10(7)12/h2-5H,12H2,1H3.
What are the key properties of 4-(4-fluoro-3-methoxyphenyl)-1,2-oxazol-5-amine?
4-(4-fluoro-3-methoxyphenyl)-1,2-oxazol-5-amine has a molecular weight of 208.19 g/mol, XLogP of 2.07, 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-methoxyphenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 117297114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).