5-[4-(1-fluoroethyl)phenyl]-1,2-oxazol-3-amine

C11H11FN2O — CID 117294546

IUPAC5-[4-(1-fluoroethyl)phenyl]-1,2-oxazol-3-amine
SMILESCC(F)c1ccc(-c2cc(N)no2)cc1
InChIInChI=1S/C11H11FN2O/c1-7(12)8-2-4-9(5-3-8)10-6-11(13)14-15-10/h2-7H,1H3,(H2,13,14)
InChIKeyLFQXHGZOEFNJFK-UHFFFAOYSA-N
MW206.22 g/mol
LogP2.95
Rot. Bonds2

About 5-[4-(1-fluoroethyl)phenyl]-1,2-oxazol-3-amine

5-[4-(1-fluoroethyl)phenyl]-1,2-oxazol-3-amine (PubChem CID 117294546) has the molecular formula C11H11FN2O and a molecular weight of 206.22 g/mol. Its IUPAC name is 5-[4-(1-fluoroethyl)phenyl]-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-[4-(1-fluoroethyl)phenyl]-1,2-oxazol-3-amine
PubChem CID117294546
Molecular FormulaC11H11FN2O
Molecular Weight206.22 g/mol
Exact Mass206.09
IUPAC Name5-[4-(1-fluoroethyl)phenyl]-1,2-oxazol-3-amine
SMILESCC(F)c1ccc(-c2cc(N)no2)cc1
InChIInChI=1S/C11H11FN2O/c1-7(12)8-2-4-9(5-3-8)10-6-11(13)14-15-10/h2-7H,1H3,(H2,13,14)
InChIKeyLFQXHGZOEFNJFK-UHFFFAOYSA-N
XLogP2.95
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(1-fluoroethyl)phenyl]-1,2-oxazol-3-amine?
The IUPAC name of 5-[4-(1-fluoroethyl)phenyl]-1,2-oxazol-3-amine (CID 117294546) is 5-[4-(1-fluoroethyl)phenyl]-1,2-oxazol-3-amine.
What is the SMILES notation for 5-[4-(1-fluoroethyl)phenyl]-1,2-oxazol-3-amine?
The canonical SMILES for 5-[4-(1-fluoroethyl)phenyl]-1,2-oxazol-3-amine is CC(F)c1ccc(-c2cc(N)no2)cc1.
What is the InChIKey of 5-[4-(1-fluoroethyl)phenyl]-1,2-oxazol-3-amine?
The InChIKey is LFQXHGZOEFNJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O/c1-7(12)8-2-4-9(5-3-8)10-6-11(13)14-15-10/h2-7H,1H3,(H2,13,14).
What are the key properties of 5-[4-(1-fluoroethyl)phenyl]-1,2-oxazol-3-amine?
5-[4-(1-fluoroethyl)phenyl]-1,2-oxazol-3-amine has a molecular weight of 206.22 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(1-fluoroethyl)phenyl]-1,2-oxazol-3-amine is sourced from PubChem (CID 117294546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).