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

C10H9FN2O2 — CID 117297135

IUPAC5-(2-fluoro-5-methoxyphenyl)-1,2-oxazol-3-amine
SMILESCOc1ccc(F)c(-c2cc(N)no2)c1
InChIInChI=1S/C10H9FN2O2/c1-14-6-2-3-8(11)7(4-6)9-5-10(12)13-15-9/h2-5H,1H3,(H2,12,13)
InChIKeyXRRKYMZNYIGHNT-UHFFFAOYSA-N
MW208.19 g/mol
LogP2.07
Rot. Bonds2

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

5-(2-fluoro-5-methoxyphenyl)-1,2-oxazol-3-amine (PubChem CID 117297135) has the molecular formula C10H9FN2O2 and a molecular weight of 208.19 g/mol. Its IUPAC name is 5-(2-fluoro-5-methoxyphenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(2-fluoro-5-methoxyphenyl)-1,2-oxazol-3-amine
PubChem CID117297135
Molecular FormulaC10H9FN2O2
Molecular Weight208.19 g/mol
Exact Mass208.06
IUPAC Name5-(2-fluoro-5-methoxyphenyl)-1,2-oxazol-3-amine
SMILESCOc1ccc(F)c(-c2cc(N)no2)c1
InChIInChI=1S/C10H9FN2O2/c1-14-6-2-3-8(11)7(4-6)9-5-10(12)13-15-9/h2-5H,1H3,(H2,12,13)
InChIKeyXRRKYMZNYIGHNT-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 5-(2-fluoro-5-methoxyphenyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(2-fluoro-5-methoxyphenyl)-1,2-oxazol-3-amine (CID 117297135) is 5-(2-fluoro-5-methoxyphenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(2-fluoro-5-methoxyphenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(2-fluoro-5-methoxyphenyl)-1,2-oxazol-3-amine is COc1ccc(F)c(-c2cc(N)no2)c1.
What is the InChIKey of 5-(2-fluoro-5-methoxyphenyl)-1,2-oxazol-3-amine?
The InChIKey is XRRKYMZNYIGHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O2/c1-14-6-2-3-8(11)7(4-6)9-5-10(12)13-15-9/h2-5H,1H3,(H2,12,13).
What are the key properties of 5-(2-fluoro-5-methoxyphenyl)-1,2-oxazol-3-amine?
5-(2-fluoro-5-methoxyphenyl)-1,2-oxazol-3-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 5-(2-fluoro-5-methoxyphenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 117297135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).