3-(2,6-difluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-amine

C13H8F2N4O — CID 67199596

IUPAC3-(2,6-difluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-amine
SMILESNc1onc(-c2c(F)cccc2F)c1-c1ccncn1
InChIInChI=1S/C13H8F2N4O/c14-7-2-1-3-8(15)10(7)12-11(13(16)20-19-12)9-4-5-17-6-18-9/h1-6H,16H2
InChIKeyHRGVKCVXXARDDP-UHFFFAOYSA-N
MW274.23 g/mol
LogP2.66
Rot. Bonds2

About 3-(2,6-difluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-amine

3-(2,6-difluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-amine (PubChem CID 67199596) has the molecular formula C13H8F2N4O and a molecular weight of 274.23 g/mol. Its IUPAC name is 3-(2,6-difluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(2,6-difluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-amine
PubChem CID67199596
Molecular FormulaC13H8F2N4O
Molecular Weight274.23 g/mol
Exact Mass274.07
IUPAC Name3-(2,6-difluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-amine
SMILESNc1onc(-c2c(F)cccc2F)c1-c1ccncn1
InChIInChI=1S/C13H8F2N4O/c14-7-2-1-3-8(15)10(7)12-11(13(16)20-19-12)9-4-5-17-6-18-9/h1-6H,16H2
InChIKeyHRGVKCVXXARDDP-UHFFFAOYSA-N
XLogP2.66
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-difluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-amine?
The IUPAC name of 3-(2,6-difluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-amine (CID 67199596) is 3-(2,6-difluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(2,6-difluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-amine?
The canonical SMILES for 3-(2,6-difluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-amine is Nc1onc(-c2c(F)cccc2F)c1-c1ccncn1.
What is the InChIKey of 3-(2,6-difluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-amine?
The InChIKey is HRGVKCVXXARDDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F2N4O/c14-7-2-1-3-8(15)10(7)12-11(13(16)20-19-12)9-4-5-17-6-18-9/h1-6H,16H2.
What are the key properties of 3-(2,6-difluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-amine?
3-(2,6-difluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-amine has a molecular weight of 274.23 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-difluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-amine is sourced from PubChem (CID 67199596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).