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

C15H9F3N2O — CID 43335899

IUPAC3-(2,6-difluorophenyl)-4-(4-fluorophenyl)-1,2-oxazol-5-amine
SMILESNc1onc(-c2c(F)cccc2F)c1-c1ccc(F)cc1
InChIInChI=1S/C15H9F3N2O/c16-9-6-4-8(5-7-9)12-14(20-21-15(12)19)13-10(17)2-1-3-11(13)18/h1-7H,19H2
InChIKeyAAJGTBOSIBHCCO-UHFFFAOYSA-N
MW290.24 g/mol
LogP4.01
Rot. Bonds2

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

3-(2,6-difluorophenyl)-4-(4-fluorophenyl)-1,2-oxazol-5-amine (PubChem CID 43335899) has the molecular formula C15H9F3N2O and a molecular weight of 290.24 g/mol. Its IUPAC name is 3-(2,6-difluorophenyl)-4-(4-fluorophenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(2,6-difluorophenyl)-4-(4-fluorophenyl)-1,2-oxazol-5-amine
PubChem CID43335899
Molecular FormulaC15H9F3N2O
Molecular Weight290.24 g/mol
Exact Mass290.07
IUPAC Name3-(2,6-difluorophenyl)-4-(4-fluorophenyl)-1,2-oxazol-5-amine
SMILESNc1onc(-c2c(F)cccc2F)c1-c1ccc(F)cc1
InChIInChI=1S/C15H9F3N2O/c16-9-6-4-8(5-7-9)12-14(20-21-15(12)19)13-10(17)2-1-3-11(13)18/h1-7H,19H2
InChIKeyAAJGTBOSIBHCCO-UHFFFAOYSA-N
XLogP4.01
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.24
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-fluorophenyl)-4-(4-methylphenyl)-1,2-oxazol-5-amine
CID 62830483
4-(4-fluorophenyl)-3-(2-methylphenyl)-1,2-oxazol-5-amine
CID 43335890
3-(3-chlorophenyl)-4-(4-fluorophenyl)-1,2-oxazol-5-amine
CID 43158163
3-(4-fluorophenyl)-4-(3-methylphenyl)-1,2-oxazol-5-amine
CID 62829957
3-(2-bromo-3-methylphenyl)-4-(4-fluorophenyl)-1,2-oxazol-5-amine
CID 107982868
4-(4-fluorophenyl)-3-pyrimidin-5-yl-1,2-oxazol-5-amine
CID 102922007
4-(3-chlorophenyl)-3-(4-fluorophenyl)-1,2-oxazol-5-amine
CID 43157981
4-(4-fluorophenyl)-3-pyridazin-4-yl-1,2-oxazol-5-amine
CID 104670755
3-(2,5-dimethylphenyl)-4-(4-fluorophenyl)-1,2-oxazol-5-amine
CID 43158169
4-(4-chlorophenyl)-3-(2,5-difluorophenyl)-1,2-oxazol-5-amine
CID 43335828
3-(4-fluorophenyl)-4-(2-methylphenyl)-1,2-oxazol-5-amine
CID 43157945
3-(2,6-difluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-amine
CID 67199596

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-difluorophenyl)-4-(4-fluorophenyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(2,6-difluorophenyl)-4-(4-fluorophenyl)-1,2-oxazol-5-amine (CID 43335899) is 3-(2,6-difluorophenyl)-4-(4-fluorophenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(2,6-difluorophenyl)-4-(4-fluorophenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(2,6-difluorophenyl)-4-(4-fluorophenyl)-1,2-oxazol-5-amine is Nc1onc(-c2c(F)cccc2F)c1-c1ccc(F)cc1.
What is the InChIKey of 3-(2,6-difluorophenyl)-4-(4-fluorophenyl)-1,2-oxazol-5-amine?
The InChIKey is AAJGTBOSIBHCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3N2O/c16-9-6-4-8(5-7-9)12-14(20-21-15(12)19)13-10(17)2-1-3-11(13)18/h1-7H,19H2.
What are the key properties of 3-(2,6-difluorophenyl)-4-(4-fluorophenyl)-1,2-oxazol-5-amine?
3-(2,6-difluorophenyl)-4-(4-fluorophenyl)-1,2-oxazol-5-amine has a molecular weight of 290.24 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-difluorophenyl)-4-(4-fluorophenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 43335899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).