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

C13H9FN4O — CID 102922007

IUPAC4-(4-fluorophenyl)-3-pyrimidin-5-yl-1,2-oxazol-5-amine
SMILESNc1onc(-c2cncnc2)c1-c1ccc(F)cc1
InChIInChI=1S/C13H9FN4O/c14-10-3-1-8(2-4-10)11-12(18-19-13(11)15)9-5-16-7-17-6-9/h1-7H,15H2
InChIKeyNYBMUFRXWHXZEV-UHFFFAOYSA-N
MW256.24 g/mol
LogP2.52
Rot. Bonds2

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

4-(4-fluorophenyl)-3-pyrimidin-5-yl-1,2-oxazol-5-amine (PubChem CID 102922007) has the molecular formula C13H9FN4O and a molecular weight of 256.24 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-3-pyrimidin-5-yl-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-3-pyrimidin-5-yl-1,2-oxazol-5-amine
PubChem CID102922007
Molecular FormulaC13H9FN4O
Molecular Weight256.24 g/mol
Exact Mass256.08
IUPAC Name4-(4-fluorophenyl)-3-pyrimidin-5-yl-1,2-oxazol-5-amine
SMILESNc1onc(-c2cncnc2)c1-c1ccc(F)cc1
InChIInChI=1S/C13H9FN4O/c14-10-3-1-8(2-4-10)11-12(18-19-13(11)15)9-5-16-7-17-6-9/h1-7H,15H2
InChIKeyNYBMUFRXWHXZEV-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

3-(4-fluorophenyl)-4-(4-methylphenyl)-1,2-oxazol-5-amine
CID 62830483
4-(4-fluorophenyl)-3-pyridazin-4-yl-1,2-oxazol-5-amine
CID 104670755
3-(2,6-difluorophenyl)-4-(4-fluorophenyl)-1,2-oxazol-5-amine
CID 43335899
3-(5-fluoro-3-pyridinyl)-4-pyridin-4-yl-1,2-oxazol-5-amine
CID 104786026
3-(3-chlorophenyl)-4-(4-fluorophenyl)-1,2-oxazol-5-amine
CID 43158163
4-(4-fluorophenyl)-3-(4-nitrophenyl)-1,2-oxazol-5-amine
CID 155520575
4-(4-fluorophenyl)-3-(2-methylphenyl)-1,2-oxazol-5-amine
CID 43335890
4-(3,4-dichlorophenyl)-3-(5-fluoro-3-pyridinyl)-1,2-oxazol-5-amine
CID 104786016
3-(4-fluorophenyl)-4-(3-methylphenyl)-1,2-oxazol-5-amine
CID 62829957
4-(3-chlorophenyl)-3-(4-fluorophenyl)-1,2-oxazol-5-amine
CID 43157981
4-(3,5-difluorophenyl)-3-phenyl-1,2-oxazol-5-amine
CID 61496302
3-(3,5-difluorophenyl)-4-phenyl-1,2-oxazol-5-amine
CID 43335733

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-3-pyrimidin-5-yl-1,2-oxazol-5-amine?
The IUPAC name of 4-(4-fluorophenyl)-3-pyrimidin-5-yl-1,2-oxazol-5-amine (CID 102922007) is 4-(4-fluorophenyl)-3-pyrimidin-5-yl-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(4-fluorophenyl)-3-pyrimidin-5-yl-1,2-oxazol-5-amine?
The canonical SMILES for 4-(4-fluorophenyl)-3-pyrimidin-5-yl-1,2-oxazol-5-amine is Nc1onc(-c2cncnc2)c1-c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-3-pyrimidin-5-yl-1,2-oxazol-5-amine?
The InChIKey is NYBMUFRXWHXZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN4O/c14-10-3-1-8(2-4-10)11-12(18-19-13(11)15)9-5-16-7-17-6-9/h1-7H,15H2.
What are the key properties of 4-(4-fluorophenyl)-3-pyrimidin-5-yl-1,2-oxazol-5-amine?
4-(4-fluorophenyl)-3-pyrimidin-5-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 4-(4-fluorophenyl)-3-pyrimidin-5-yl-1,2-oxazol-5-amine is sourced from PubChem (CID 102922007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).