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

C15H10ClFN2O — CID 43335730

IUPAC3-(4-chloro-2-fluorophenyl)-4-phenyl-1,2-oxazol-5-amine
SMILESNc1onc(-c2ccc(Cl)cc2F)c1-c1ccccc1
InChIInChI=1S/C15H10ClFN2O/c16-10-6-7-11(12(17)8-10)14-13(15(18)20-19-14)9-4-2-1-3-5-9/h1-8H,18H2
InChIKeyUBYRXXWSWZQZTC-UHFFFAOYSA-N
MW288.71 g/mol
LogP4.38
Rot. Bonds2

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

3-(4-chloro-2-fluorophenyl)-4-phenyl-1,2-oxazol-5-amine (PubChem CID 43335730) has the molecular formula C15H10ClFN2O and a molecular weight of 288.71 g/mol. Its IUPAC name is 3-(4-chloro-2-fluorophenyl)-4-phenyl-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(4-chloro-2-fluorophenyl)-4-phenyl-1,2-oxazol-5-amine
PubChem CID43335730
Molecular FormulaC15H10ClFN2O
Molecular Weight288.71 g/mol
Exact Mass288.05
IUPAC Name3-(4-chloro-2-fluorophenyl)-4-phenyl-1,2-oxazol-5-amine
SMILESNc1onc(-c2ccc(Cl)cc2F)c1-c1ccccc1
InChIInChI=1S/C15H10ClFN2O/c16-10-6-7-11(12(17)8-10)14-13(15(18)20-19-14)9-4-2-1-3-5-9/h1-8H,18H2
InChIKeyUBYRXXWSWZQZTC-UHFFFAOYSA-N
XLogP4.38
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.71
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-chloro-4-fluorophenyl)-4-phenyl-1,2-oxazol-5-amine
CID 43158039
3-(2-fluoro-4-methoxyphenyl)-4-phenyl-1,2-oxazol-5-amine
CID 102883442
3-(2-bromo-4-chlorophenyl)-4-(3-fluorophenyl)-1,2-oxazol-5-amine
CID 107988941
4-(3-bromophenyl)-3-(5-chloro-2-fluorophenyl)-1,2-oxazol-5-amine
CID 43560930
4-(4-chlorophenyl)-3-(2,5-difluorophenyl)-1,2-oxazol-5-amine
CID 43335828
3-(2,3-dichlorophenyl)-4-phenyl-1,2-oxazol-5-amine
CID 43335737
3-(3-chlorophenyl)-4-(4-fluorophenyl)-1,2-oxazol-5-amine
CID 43158163
3-(2-bromo-4-chlorophenyl)-4-(2-bromophenyl)-1,2-oxazol-5-amine
CID 107988970
3-(3,5-difluorophenyl)-4-phenyl-1,2-oxazol-5-amine
CID 43335733
4-(2,4-difluorophenyl)-3-(2-fluorophenyl)-1,2-oxazol-5-amine
CID 64559713
3-(2,4-difluorophenyl)-4-(3-methylphenyl)-1,2-oxazol-5-amine
CID 62830128
4-(2-chloro-4-fluorophenyl)-3-(3-chlorophenyl)-1,2-oxazol-5-amine
CID 63036543

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2-fluorophenyl)-4-phenyl-1,2-oxazol-5-amine?
The IUPAC name of 3-(4-chloro-2-fluorophenyl)-4-phenyl-1,2-oxazol-5-amine (CID 43335730) is 3-(4-chloro-2-fluorophenyl)-4-phenyl-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(4-chloro-2-fluorophenyl)-4-phenyl-1,2-oxazol-5-amine?
The canonical SMILES for 3-(4-chloro-2-fluorophenyl)-4-phenyl-1,2-oxazol-5-amine is Nc1onc(-c2ccc(Cl)cc2F)c1-c1ccccc1.
What is the InChIKey of 3-(4-chloro-2-fluorophenyl)-4-phenyl-1,2-oxazol-5-amine?
The InChIKey is UBYRXXWSWZQZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN2O/c16-10-6-7-11(12(17)8-10)14-13(15(18)20-19-14)9-4-2-1-3-5-9/h1-8H,18H2.
What are the key properties of 3-(4-chloro-2-fluorophenyl)-4-phenyl-1,2-oxazol-5-amine?
3-(4-chloro-2-fluorophenyl)-4-phenyl-1,2-oxazol-5-amine has a molecular weight of 288.71 g/mol, XLogP of 4.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2-fluorophenyl)-4-phenyl-1,2-oxazol-5-amine is sourced from PubChem (CID 43335730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).