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

C14H9F2N3O — CID 80525852

IUPAC5-(2,3-difluorophenyl)-4-pyridin-4-yl-1,2-oxazol-3-amine
SMILESNc1noc(-c2cccc(F)c2F)c1-c1ccncc1
InChIInChI=1S/C14H9F2N3O/c15-10-3-1-2-9(12(10)16)13-11(14(17)19-20-13)8-4-6-18-7-5-8/h1-7H,(H2,17,19)
InChIKeyPAEMOWFIFXVZQD-UHFFFAOYSA-N
MW273.24 g/mol
LogP3.26
Rot. Bonds2

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

5-(2,3-difluorophenyl)-4-pyridin-4-yl-1,2-oxazol-3-amine (PubChem CID 80525852) has the molecular formula C14H9F2N3O and a molecular weight of 273.24 g/mol. Its IUPAC name is 5-(2,3-difluorophenyl)-4-pyridin-4-yl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(2,3-difluorophenyl)-4-pyridin-4-yl-1,2-oxazol-3-amine
PubChem CID80525852
Molecular FormulaC14H9F2N3O
Molecular Weight273.24 g/mol
Exact Mass273.07
IUPAC Name5-(2,3-difluorophenyl)-4-pyridin-4-yl-1,2-oxazol-3-amine
SMILESNc1noc(-c2cccc(F)c2F)c1-c1ccncc1
InChIInChI=1S/C14H9F2N3O/c15-10-3-1-2-9(12(10)16)13-11(14(17)19-20-13)8-4-6-18-7-5-8/h1-7H,(H2,17,19)
InChIKeyPAEMOWFIFXVZQD-UHFFFAOYSA-N
XLogP3.26
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.24
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-difluorophenyl)-4-pyridin-4-yl-1,2-oxazol-3-amine?
The IUPAC name of 5-(2,3-difluorophenyl)-4-pyridin-4-yl-1,2-oxazol-3-amine (CID 80525852) is 5-(2,3-difluorophenyl)-4-pyridin-4-yl-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(2,3-difluorophenyl)-4-pyridin-4-yl-1,2-oxazol-3-amine?
The canonical SMILES for 5-(2,3-difluorophenyl)-4-pyridin-4-yl-1,2-oxazol-3-amine is Nc1noc(-c2cccc(F)c2F)c1-c1ccncc1.
What is the InChIKey of 5-(2,3-difluorophenyl)-4-pyridin-4-yl-1,2-oxazol-3-amine?
The InChIKey is PAEMOWFIFXVZQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2N3O/c15-10-3-1-2-9(12(10)16)13-11(14(17)19-20-13)8-4-6-18-7-5-8/h1-7H,(H2,17,19).
What are the key properties of 5-(2,3-difluorophenyl)-4-pyridin-4-yl-1,2-oxazol-3-amine?
5-(2,3-difluorophenyl)-4-pyridin-4-yl-1,2-oxazol-3-amine has a molecular weight of 273.24 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-difluorophenyl)-4-pyridin-4-yl-1,2-oxazol-3-amine is sourced from PubChem (CID 80525852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).