5-(5-fluoro-2-piperidin-1-ylphenyl)-1,2-oxazol-3-amine

C14H16FN3O — CID 117407236

IUPAC5-(5-fluoro-2-piperidin-1-ylphenyl)-1,2-oxazol-3-amine
SMILESNc1cc(-c2cc(F)ccc2N2CCCCC2)on1
InChIInChI=1S/C14H16FN3O/c15-10-4-5-12(18-6-2-1-3-7-18)11(8-10)13-9-14(16)17-19-13/h4-5,8-9H,1-3,6-7H2,(H2,16,17)
InChIKeyGDRGMLYVPHEJNF-UHFFFAOYSA-N
MW261.30 g/mol
LogP3.05
Rot. Bonds2

About 5-(5-fluoro-2-piperidin-1-ylphenyl)-1,2-oxazol-3-amine

5-(5-fluoro-2-piperidin-1-ylphenyl)-1,2-oxazol-3-amine (PubChem CID 117407236) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is 5-(5-fluoro-2-piperidin-1-ylphenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(5-fluoro-2-piperidin-1-ylphenyl)-1,2-oxazol-3-amine
PubChem CID117407236
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC Name5-(5-fluoro-2-piperidin-1-ylphenyl)-1,2-oxazol-3-amine
SMILESNc1cc(-c2cc(F)ccc2N2CCCCC2)on1
InChIInChI=1S/C14H16FN3O/c15-10-4-5-12(18-6-2-1-3-7-18)11(8-10)13-9-14(16)17-19-13/h4-5,8-9H,1-3,6-7H2,(H2,16,17)
InChIKeyGDRGMLYVPHEJNF-UHFFFAOYSA-N
XLogP3.05
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 53.05
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-piperidin-1-ylphenyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(5-fluoro-2-piperidin-1-ylphenyl)-1,2-oxazol-3-amine (CID 117407236) is 5-(5-fluoro-2-piperidin-1-ylphenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(5-fluoro-2-piperidin-1-ylphenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(5-fluoro-2-piperidin-1-ylphenyl)-1,2-oxazol-3-amine is Nc1cc(-c2cc(F)ccc2N2CCCCC2)on1.
What is the InChIKey of 5-(5-fluoro-2-piperidin-1-ylphenyl)-1,2-oxazol-3-amine?
The InChIKey is GDRGMLYVPHEJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c15-10-4-5-12(18-6-2-1-3-7-18)11(8-10)13-9-14(16)17-19-13/h4-5,8-9H,1-3,6-7H2,(H2,16,17).
What are the key properties of 5-(5-fluoro-2-piperidin-1-ylphenyl)-1,2-oxazol-3-amine?
5-(5-fluoro-2-piperidin-1-ylphenyl)-1,2-oxazol-3-amine has a molecular weight of 261.30 g/mol, XLogP of 3.05, 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-piperidin-1-ylphenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 117407236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).