4-[2-(fluoromethyl)-3-methoxyphenyl]-1,2-oxazol-5-amine

C11H11FN2O2 — CID 117317606

IUPAC4-[2-(fluoromethyl)-3-methoxyphenyl]-1,2-oxazol-5-amine
SMILESCOc1cccc(-c2cnoc2N)c1CF
InChIInChI=1S/C11H11FN2O2/c1-15-10-4-2-3-7(8(10)5-12)9-6-14-16-11(9)13/h2-4,6H,5,13H2,1H3
InChIKeyOTTVQWUORBCHHE-UHFFFAOYSA-N
MW222.22 g/mol
LogP2.40
Rot. Bonds3

About 4-[2-(fluoromethyl)-3-methoxyphenyl]-1,2-oxazol-5-amine

4-[2-(fluoromethyl)-3-methoxyphenyl]-1,2-oxazol-5-amine (PubChem CID 117317606) has the molecular formula C11H11FN2O2 and a molecular weight of 222.22 g/mol. Its IUPAC name is 4-[2-(fluoromethyl)-3-methoxyphenyl]-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-[2-(fluoromethyl)-3-methoxyphenyl]-1,2-oxazol-5-amine
PubChem CID117317606
Molecular FormulaC11H11FN2O2
Molecular Weight222.22 g/mol
Exact Mass222.08
IUPAC Name4-[2-(fluoromethyl)-3-methoxyphenyl]-1,2-oxazol-5-amine
SMILESCOc1cccc(-c2cnoc2N)c1CF
InChIInChI=1S/C11H11FN2O2/c1-15-10-4-2-3-7(8(10)5-12)9-6-14-16-11(9)13/h2-4,6H,5,13H2,1H3
InChIKeyOTTVQWUORBCHHE-UHFFFAOYSA-N
XLogP2.40
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 ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(fluoromethyl)-3-methoxyphenyl]-1,2-oxazol-5-amine?
The IUPAC name of 4-[2-(fluoromethyl)-3-methoxyphenyl]-1,2-oxazol-5-amine (CID 117317606) is 4-[2-(fluoromethyl)-3-methoxyphenyl]-1,2-oxazol-5-amine.
What is the SMILES notation for 4-[2-(fluoromethyl)-3-methoxyphenyl]-1,2-oxazol-5-amine?
The canonical SMILES for 4-[2-(fluoromethyl)-3-methoxyphenyl]-1,2-oxazol-5-amine is COc1cccc(-c2cnoc2N)c1CF.
What is the InChIKey of 4-[2-(fluoromethyl)-3-methoxyphenyl]-1,2-oxazol-5-amine?
The InChIKey is OTTVQWUORBCHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O2/c1-15-10-4-2-3-7(8(10)5-12)9-6-14-16-11(9)13/h2-4,6H,5,13H2,1H3.
What are the key properties of 4-[2-(fluoromethyl)-3-methoxyphenyl]-1,2-oxazol-5-amine?
4-[2-(fluoromethyl)-3-methoxyphenyl]-1,2-oxazol-5-amine has a molecular weight of 222.22 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(fluoromethyl)-3-methoxyphenyl]-1,2-oxazol-5-amine is sourced from PubChem (CID 117317606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).