3-(5-fluoro-3-pyridinyl)-4-pyridin-4-yl-1,2-oxazol-5-amine

C13H9FN4O — CID 104786026

IUPAC3-(5-fluoro-3-pyridinyl)-4-pyridin-4-yl-1,2-oxazol-5-amine
SMILESNc1onc(-c2cncc(F)c2)c1-c1ccncc1
InChIInChI=1S/C13H9FN4O/c14-10-5-9(6-17-7-10)12-11(13(15)19-18-12)8-1-3-16-4-2-8/h1-7H,15H2
InChIKeyHAOCQYBNGYMINK-UHFFFAOYSA-N
MW256.24 g/mol
LogP2.52
Rot. Bonds2

About 3-(5-fluoro-3-pyridinyl)-4-pyridin-4-yl-1,2-oxazol-5-amine

3-(5-fluoro-3-pyridinyl)-4-pyridin-4-yl-1,2-oxazol-5-amine (PubChem CID 104786026) has the molecular formula C13H9FN4O and a molecular weight of 256.24 g/mol. Its IUPAC name is 3-(5-fluoro-3-pyridinyl)-4-pyridin-4-yl-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(5-fluoro-3-pyridinyl)-4-pyridin-4-yl-1,2-oxazol-5-amine
PubChem CID104786026
Molecular FormulaC13H9FN4O
Molecular Weight256.24 g/mol
Exact Mass256.08
IUPAC Name3-(5-fluoro-3-pyridinyl)-4-pyridin-4-yl-1,2-oxazol-5-amine
SMILESNc1onc(-c2cncc(F)c2)c1-c1ccncc1
InChIInChI=1S/C13H9FN4O/c14-10-5-9(6-17-7-10)12-11(13(15)19-18-12)8-1-3-16-4-2-8/h1-7H,15H2
InChIKeyHAOCQYBNGYMINK-UHFFFAOYSA-N
XLogP2.52
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.24
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3,4-dichlorophenyl)-3-(5-fluoro-3-pyridinyl)-1,2-oxazol-5-amine
CID 104786016
3-(5-fluoro-3-pyridinyl)-4-thiophen-2-yl-1,2-oxazol-5-amine
CID 104786017
4-(2-chloro-6-fluorophenyl)-3-(5-fluoro-3-pyridinyl)-1,2-oxazol-5-amine
CID 104785999
4-(4-fluorophenyl)-3-pyrimidin-5-yl-1,2-oxazol-5-amine
CID 102922007
3-(4-fluoro-3-methylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine
CID 57417818
3-(3,5-dibromophenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine
CID 107972794
3-[3-(aminomethyl)-4-fluorophenyl]-4-pyridin-4-yl-1,2-oxazol-5-amine
CID 150892773
3-(3,5-difluorophenyl)-4-phenyl-1,2-oxazol-5-amine
CID 43335733
3-(4-phenylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine
CID 69006280
4-(4-fluorophenyl)-3-pyridazin-4-yl-1,2-oxazol-5-amine
CID 104670755
4-pyridin-4-yl-3-thiophen-3-yl-1,2-oxazol-5-amine
CID 80525022
3-(5-bromothiophen-3-yl)-4-pyridin-4-yl-1,2-oxazol-5-amine
CID 107962951

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-3-pyridinyl)-4-pyridin-4-yl-1,2-oxazol-5-amine?
The IUPAC name of 3-(5-fluoro-3-pyridinyl)-4-pyridin-4-yl-1,2-oxazol-5-amine (CID 104786026) is 3-(5-fluoro-3-pyridinyl)-4-pyridin-4-yl-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(5-fluoro-3-pyridinyl)-4-pyridin-4-yl-1,2-oxazol-5-amine?
The canonical SMILES for 3-(5-fluoro-3-pyridinyl)-4-pyridin-4-yl-1,2-oxazol-5-amine is Nc1onc(-c2cncc(F)c2)c1-c1ccncc1.
What is the InChIKey of 3-(5-fluoro-3-pyridinyl)-4-pyridin-4-yl-1,2-oxazol-5-amine?
The InChIKey is HAOCQYBNGYMINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN4O/c14-10-5-9(6-17-7-10)12-11(13(15)19-18-12)8-1-3-16-4-2-8/h1-7H,15H2.
What are the key properties of 3-(5-fluoro-3-pyridinyl)-4-pyridin-4-yl-1,2-oxazol-5-amine?
3-(5-fluoro-3-pyridinyl)-4-pyridin-4-yl-1,2-oxazol-5-amine has a molecular weight of 256.24 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-3-pyridinyl)-4-pyridin-4-yl-1,2-oxazol-5-amine is sourced from PubChem (CID 104786026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).