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

C14H10FN3O — CID 66198114

IUPAC5-(3-fluoro-4-pyridinyl)-4-phenyl-1,2-oxazol-3-amine
SMILESNc1noc(-c2ccncc2F)c1-c1ccccc1
InChIInChI=1S/C14H10FN3O/c15-11-8-17-7-6-10(11)13-12(14(16)18-19-13)9-4-2-1-3-5-9/h1-8H,(H2,16,18)
InChIKeyYOUJVUCLZPZPOZ-UHFFFAOYSA-N
MW255.25 g/mol
LogP3.12
Rot. Bonds2

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

5-(3-fluoro-4-pyridinyl)-4-phenyl-1,2-oxazol-3-amine (PubChem CID 66198114) has the molecular formula C14H10FN3O and a molecular weight of 255.25 g/mol. Its IUPAC name is 5-(3-fluoro-4-pyridinyl)-4-phenyl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(3-fluoro-4-pyridinyl)-4-phenyl-1,2-oxazol-3-amine
PubChem CID66198114
Molecular FormulaC14H10FN3O
Molecular Weight255.25 g/mol
Exact Mass255.08
IUPAC Name5-(3-fluoro-4-pyridinyl)-4-phenyl-1,2-oxazol-3-amine
SMILESNc1noc(-c2ccncc2F)c1-c1ccccc1
InChIInChI=1S/C14H10FN3O/c15-11-8-17-7-6-10(11)13-12(14(16)18-19-13)9-4-2-1-3-5-9/h1-8H,(H2,16,18)
InChIKeyYOUJVUCLZPZPOZ-UHFFFAOYSA-N
XLogP3.12
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-4-pyridinyl)-4-phenyl-1,2-oxazol-3-amine?
The IUPAC name of 5-(3-fluoro-4-pyridinyl)-4-phenyl-1,2-oxazol-3-amine (CID 66198114) is 5-(3-fluoro-4-pyridinyl)-4-phenyl-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(3-fluoro-4-pyridinyl)-4-phenyl-1,2-oxazol-3-amine?
The canonical SMILES for 5-(3-fluoro-4-pyridinyl)-4-phenyl-1,2-oxazol-3-amine is Nc1noc(-c2ccncc2F)c1-c1ccccc1.
What is the InChIKey of 5-(3-fluoro-4-pyridinyl)-4-phenyl-1,2-oxazol-3-amine?
The InChIKey is YOUJVUCLZPZPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O/c15-11-8-17-7-6-10(11)13-12(14(16)18-19-13)9-4-2-1-3-5-9/h1-8H,(H2,16,18).
What are the key properties of 5-(3-fluoro-4-pyridinyl)-4-phenyl-1,2-oxazol-3-amine?
5-(3-fluoro-4-pyridinyl)-4-phenyl-1,2-oxazol-3-amine has a molecular weight of 255.25 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-4-pyridinyl)-4-phenyl-1,2-oxazol-3-amine is sourced from PubChem (CID 66198114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).