[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methanamine

C10H9FN2O — CID 42281868

IUPAC[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methanamine
SMILESNCc1cc(-c2ccc(F)cc2)on1
InChIInChI=1S/C10H9FN2O/c11-8-3-1-7(2-4-8)10-5-9(6-12)13-14-10/h1-5H,6,12H2
InChIKeyWQLAWLKPAPOQLF-UHFFFAOYSA-N
MW192.19 g/mol
LogP1.94
Rot. Bonds2

About [5-(4-fluorophenyl)-1,2-oxazol-3-yl]methanamine

[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methanamine (PubChem CID 42281868) has the molecular formula C10H9FN2O and a molecular weight of 192.19 g/mol. Its IUPAC name is [5-(4-fluorophenyl)-1,2-oxazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methanamine
PubChem CID42281868
Molecular FormulaC10H9FN2O
Molecular Weight192.19 g/mol
Exact Mass192.07
IUPAC Name[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methanamine
SMILESNCc1cc(-c2ccc(F)cc2)on1
InChIInChI=1S/C10H9FN2O/c11-8-3-1-7(2-4-8)10-5-9(6-12)13-14-10/h1-5H,6,12H2
InChIKeyWQLAWLKPAPOQLF-UHFFFAOYSA-N
XLogP1.94
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.19
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(4-fluorophenyl)-1,2-oxazol-3-yl]methanamine?
The IUPAC name of [5-(4-fluorophenyl)-1,2-oxazol-3-yl]methanamine (CID 42281868) is [5-(4-fluorophenyl)-1,2-oxazol-3-yl]methanamine.
What is the SMILES notation for [5-(4-fluorophenyl)-1,2-oxazol-3-yl]methanamine?
The canonical SMILES for [5-(4-fluorophenyl)-1,2-oxazol-3-yl]methanamine is NCc1cc(-c2ccc(F)cc2)on1.
What is the InChIKey of [5-(4-fluorophenyl)-1,2-oxazol-3-yl]methanamine?
The InChIKey is WQLAWLKPAPOQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O/c11-8-3-1-7(2-4-8)10-5-9(6-12)13-14-10/h1-5H,6,12H2.
What are the key properties of [5-(4-fluorophenyl)-1,2-oxazol-3-yl]methanamine?
[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methanamine has a molecular weight of 192.19 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-fluorophenyl)-1,2-oxazol-3-yl]methanamine is sourced from PubChem (CID 42281868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).