3-ethyl-4-(4-fluorophenyl)-1,2-oxazol-5-amine

C11H11FN2O — CID 16606838

IUPAC3-ethyl-4-(4-fluorophenyl)-1,2-oxazol-5-amine
SMILESCCc1noc(N)c1-c1ccc(F)cc1
InChIInChI=1S/C11H11FN2O/c1-2-9-10(11(13)15-14-9)7-3-5-8(12)6-4-7/h3-6H,2,13H2,1H3
InChIKeyLJMQWOISRINAAD-UHFFFAOYSA-N
MW206.22 g/mol
LogP2.63
Rot. Bonds2

About 3-ethyl-4-(4-fluorophenyl)-1,2-oxazol-5-amine

3-ethyl-4-(4-fluorophenyl)-1,2-oxazol-5-amine (PubChem CID 16606838) has the molecular formula C11H11FN2O and a molecular weight of 206.22 g/mol. Its IUPAC name is 3-ethyl-4-(4-fluorophenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-ethyl-4-(4-fluorophenyl)-1,2-oxazol-5-amine
PubChem CID16606838
Molecular FormulaC11H11FN2O
Molecular Weight206.22 g/mol
Exact Mass206.09
IUPAC Name3-ethyl-4-(4-fluorophenyl)-1,2-oxazol-5-amine
SMILESCCc1noc(N)c1-c1ccc(F)cc1
InChIInChI=1S/C11H11FN2O/c1-2-9-10(11(13)15-14-9)7-3-5-8(12)6-4-7/h3-6H,2,13H2,1H3
InChIKeyLJMQWOISRINAAD-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-(4-fluorophenyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-ethyl-4-(4-fluorophenyl)-1,2-oxazol-5-amine (CID 16606838) is 3-ethyl-4-(4-fluorophenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-ethyl-4-(4-fluorophenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-ethyl-4-(4-fluorophenyl)-1,2-oxazol-5-amine is CCc1noc(N)c1-c1ccc(F)cc1.
What is the InChIKey of 3-ethyl-4-(4-fluorophenyl)-1,2-oxazol-5-amine?
The InChIKey is LJMQWOISRINAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O/c1-2-9-10(11(13)15-14-9)7-3-5-8(12)6-4-7/h3-6H,2,13H2,1H3.
What are the key properties of 3-ethyl-4-(4-fluorophenyl)-1,2-oxazol-5-amine?
3-ethyl-4-(4-fluorophenyl)-1,2-oxazol-5-amine has a molecular weight of 206.22 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-(4-fluorophenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 16606838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).