[5-(5-fluoro-2-pyridinyl)-1,2-oxazol-3-yl]methanamine

C9H8FN3O — CID 83129364

IUPAC[5-(5-fluoro-2-pyridinyl)-1,2-oxazol-3-yl]methanamine
SMILESNCc1cc(-c2ccc(F)cn2)on1
InChIInChI=1S/C9H8FN3O/c10-6-1-2-8(12-5-6)9-3-7(4-11)13-14-9/h1-3,5H,4,11H2
InChIKeyCDHFPFMKLLEGRL-UHFFFAOYSA-N
MW193.18 g/mol
LogP1.33
Rot. Bonds2

About [5-(5-fluoro-2-pyridinyl)-1,2-oxazol-3-yl]methanamine

[5-(5-fluoro-2-pyridinyl)-1,2-oxazol-3-yl]methanamine (PubChem CID 83129364) has the molecular formula C9H8FN3O and a molecular weight of 193.18 g/mol. Its IUPAC name is [5-(5-fluoro-2-pyridinyl)-1,2-oxazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-(5-fluoro-2-pyridinyl)-1,2-oxazol-3-yl]methanamine
PubChem CID83129364
Molecular FormulaC9H8FN3O
Molecular Weight193.18 g/mol
Exact Mass193.07
IUPAC Name[5-(5-fluoro-2-pyridinyl)-1,2-oxazol-3-yl]methanamine
SMILESNCc1cc(-c2ccc(F)cn2)on1
InChIInChI=1S/C9H8FN3O/c10-6-1-2-8(12-5-6)9-3-7(4-11)13-14-9/h1-3,5H,4,11H2
InChIKeyCDHFPFMKLLEGRL-UHFFFAOYSA-N
XLogP1.33
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.18
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(5-fluoro-2-pyridinyl)-1,2-oxazol-3-yl]methanamine?
The IUPAC name of [5-(5-fluoro-2-pyridinyl)-1,2-oxazol-3-yl]methanamine (CID 83129364) is [5-(5-fluoro-2-pyridinyl)-1,2-oxazol-3-yl]methanamine.
What is the SMILES notation for [5-(5-fluoro-2-pyridinyl)-1,2-oxazol-3-yl]methanamine?
The canonical SMILES for [5-(5-fluoro-2-pyridinyl)-1,2-oxazol-3-yl]methanamine is NCc1cc(-c2ccc(F)cn2)on1.
What is the InChIKey of [5-(5-fluoro-2-pyridinyl)-1,2-oxazol-3-yl]methanamine?
The InChIKey is CDHFPFMKLLEGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN3O/c10-6-1-2-8(12-5-6)9-3-7(4-11)13-14-9/h1-3,5H,4,11H2.
What are the key properties of [5-(5-fluoro-2-pyridinyl)-1,2-oxazol-3-yl]methanamine?
[5-(5-fluoro-2-pyridinyl)-1,2-oxazol-3-yl]methanamine has a molecular weight of 193.18 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(5-fluoro-2-pyridinyl)-1,2-oxazol-3-yl]methanamine is sourced from PubChem (CID 83129364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).