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

C15H10F2N2O — CID 43335733

IUPAC3-(3,5-difluorophenyl)-4-phenyl-1,2-oxazol-5-amine
SMILESNc1onc(-c2cc(F)cc(F)c2)c1-c1ccccc1
InChIInChI=1S/C15H10F2N2O/c16-11-6-10(7-12(17)8-11)14-13(15(18)20-19-14)9-4-2-1-3-5-9/h1-8H,18H2
InChIKeyHVIXUNITVKNTAR-UHFFFAOYSA-N
MW272.25 g/mol
LogP3.87
Rot. Bonds2

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

3-(3,5-difluorophenyl)-4-phenyl-1,2-oxazol-5-amine (PubChem CID 43335733) has the molecular formula C15H10F2N2O and a molecular weight of 272.25 g/mol. Its IUPAC name is 3-(3,5-difluorophenyl)-4-phenyl-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(3,5-difluorophenyl)-4-phenyl-1,2-oxazol-5-amine
PubChem CID43335733
Molecular FormulaC15H10F2N2O
Molecular Weight272.25 g/mol
Exact Mass272.08
IUPAC Name3-(3,5-difluorophenyl)-4-phenyl-1,2-oxazol-5-amine
SMILESNc1onc(-c2cc(F)cc(F)c2)c1-c1ccccc1
InChIInChI=1S/C15H10F2N2O/c16-11-6-10(7-12(17)8-11)14-13(15(18)20-19-14)9-4-2-1-3-5-9/h1-8H,18H2
InChIKeyHVIXUNITVKNTAR-UHFFFAOYSA-N
XLogP3.87
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.25
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,5-difluorophenyl)-3-phenyl-1,2-oxazol-5-amine
CID 61496302
3-(2-chloro-4-fluorophenyl)-4-phenyl-1,2-oxazol-5-amine
CID 43158039
3-(3-chlorophenyl)-4-(4-fluorophenyl)-1,2-oxazol-5-amine
CID 43158163
3-(4-chloro-2-fluorophenyl)-4-phenyl-1,2-oxazol-5-amine
CID 43335730
4-(3-fluorophenyl)-3-(4-iodophenyl)-1,2-oxazol-5-amine
CID 43336038
3-(4-phenylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine
CID 69006280
4-(3-methylphenyl)-3-phenyl-1,2-oxazol-5-amine
CID 62829774
4-phenyl-3-pyridazin-4-yl-1,2-oxazol-5-amine
CID 113439303
3-(5-fluoro-3-pyridinyl)-4-pyridin-4-yl-1,2-oxazol-5-amine
CID 104786026
3-(2-methyl-4-pyridinyl)-4-phenyl-1,2-oxazol-5-amine
CID 106753190
4-(3-fluorophenyl)-3-(2-methylphenyl)-1,2-oxazol-5-amine
CID 43336065
3-(4-fluorophenyl)-4-(4-methylphenyl)-1,2-oxazol-5-amine
CID 62830483

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-difluorophenyl)-4-phenyl-1,2-oxazol-5-amine?
The IUPAC name of 3-(3,5-difluorophenyl)-4-phenyl-1,2-oxazol-5-amine (CID 43335733) is 3-(3,5-difluorophenyl)-4-phenyl-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(3,5-difluorophenyl)-4-phenyl-1,2-oxazol-5-amine?
The canonical SMILES for 3-(3,5-difluorophenyl)-4-phenyl-1,2-oxazol-5-amine is Nc1onc(-c2cc(F)cc(F)c2)c1-c1ccccc1.
What is the InChIKey of 3-(3,5-difluorophenyl)-4-phenyl-1,2-oxazol-5-amine?
The InChIKey is HVIXUNITVKNTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N2O/c16-11-6-10(7-12(17)8-11)14-13(15(18)20-19-14)9-4-2-1-3-5-9/h1-8H,18H2.
What are the key properties of 3-(3,5-difluorophenyl)-4-phenyl-1,2-oxazol-5-amine?
3-(3,5-difluorophenyl)-4-phenyl-1,2-oxazol-5-amine has a molecular weight of 272.25 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-difluorophenyl)-4-phenyl-1,2-oxazol-5-amine is sourced from PubChem (CID 43335733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).