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

C15H9F3N2O — CID 66199755

IUPAC5-(3,5-difluorophenyl)-4-(2-fluorophenyl)-1,2-oxazol-3-amine
SMILESNc1noc(-c2cc(F)cc(F)c2)c1-c1ccccc1F
InChIInChI=1S/C15H9F3N2O/c16-9-5-8(6-10(17)7-9)14-13(15(19)20-21-14)11-3-1-2-4-12(11)18/h1-7H,(H2,19,20)
InChIKeyKFIOMXXASZMIIC-UHFFFAOYSA-N
MW290.24 g/mol
LogP4.01
Rot. Bonds2

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

5-(3,5-difluorophenyl)-4-(2-fluorophenyl)-1,2-oxazol-3-amine (PubChem CID 66199755) has the molecular formula C15H9F3N2O and a molecular weight of 290.24 g/mol. Its IUPAC name is 5-(3,5-difluorophenyl)-4-(2-fluorophenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(3,5-difluorophenyl)-4-(2-fluorophenyl)-1,2-oxazol-3-amine
PubChem CID66199755
Molecular FormulaC15H9F3N2O
Molecular Weight290.24 g/mol
Exact Mass290.07
IUPAC Name5-(3,5-difluorophenyl)-4-(2-fluorophenyl)-1,2-oxazol-3-amine
SMILESNc1noc(-c2cc(F)cc(F)c2)c1-c1ccccc1F
InChIInChI=1S/C15H9F3N2O/c16-9-5-8(6-10(17)7-9)14-13(15(19)20-21-14)11-3-1-2-4-12(11)18/h1-7H,(H2,19,20)
InChIKeyKFIOMXXASZMIIC-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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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-difluorophenyl)-4-(2-fluorophenyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(3,5-difluorophenyl)-4-(2-fluorophenyl)-1,2-oxazol-3-amine (CID 66199755) is 5-(3,5-difluorophenyl)-4-(2-fluorophenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(3,5-difluorophenyl)-4-(2-fluorophenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(3,5-difluorophenyl)-4-(2-fluorophenyl)-1,2-oxazol-3-amine is Nc1noc(-c2cc(F)cc(F)c2)c1-c1ccccc1F.
What is the InChIKey of 5-(3,5-difluorophenyl)-4-(2-fluorophenyl)-1,2-oxazol-3-amine?
The InChIKey is KFIOMXXASZMIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3N2O/c16-9-5-8(6-10(17)7-9)14-13(15(19)20-21-14)11-3-1-2-4-12(11)18/h1-7H,(H2,19,20).
What are the key properties of 5-(3,5-difluorophenyl)-4-(2-fluorophenyl)-1,2-oxazol-3-amine?
5-(3,5-difluorophenyl)-4-(2-fluorophenyl)-1,2-oxazol-3-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 5-(3,5-difluorophenyl)-4-(2-fluorophenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 66199755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).