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

C15H10ClFN2O — CID 43158039

IUPAC3-(2-chloro-4-fluorophenyl)-4-phenyl-1,2-oxazol-5-amine
SMILESNc1onc(-c2ccc(F)cc2Cl)c1-c1ccccc1
InChIInChI=1S/C15H10ClFN2O/c16-12-8-10(17)6-7-11(12)14-13(15(18)20-19-14)9-4-2-1-3-5-9/h1-8H,18H2
InChIKeyWFSGBUZBJSXRAK-UHFFFAOYSA-N
MW288.71 g/mol
LogP4.38
Rot. Bonds2

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

3-(2-chloro-4-fluorophenyl)-4-phenyl-1,2-oxazol-5-amine (PubChem CID 43158039) has the molecular formula C15H10ClFN2O and a molecular weight of 288.71 g/mol. Its IUPAC name is 3-(2-chloro-4-fluorophenyl)-4-phenyl-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(2-chloro-4-fluorophenyl)-4-phenyl-1,2-oxazol-5-amine
PubChem CID43158039
Molecular FormulaC15H10ClFN2O
Molecular Weight288.71 g/mol
Exact Mass288.05
IUPAC Name3-(2-chloro-4-fluorophenyl)-4-phenyl-1,2-oxazol-5-amine
SMILESNc1onc(-c2ccc(F)cc2Cl)c1-c1ccccc1
InChIInChI=1S/C15H10ClFN2O/c16-12-8-10(17)6-7-11(12)14-13(15(18)20-19-14)9-4-2-1-3-5-9/h1-8H,18H2
InChIKeyWFSGBUZBJSXRAK-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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Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4-fluorophenyl)-4-phenyl-1,2-oxazol-5-amine?
The IUPAC name of 3-(2-chloro-4-fluorophenyl)-4-phenyl-1,2-oxazol-5-amine (CID 43158039) is 3-(2-chloro-4-fluorophenyl)-4-phenyl-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(2-chloro-4-fluorophenyl)-4-phenyl-1,2-oxazol-5-amine?
The canonical SMILES for 3-(2-chloro-4-fluorophenyl)-4-phenyl-1,2-oxazol-5-amine is Nc1onc(-c2ccc(F)cc2Cl)c1-c1ccccc1.
What is the InChIKey of 3-(2-chloro-4-fluorophenyl)-4-phenyl-1,2-oxazol-5-amine?
The InChIKey is WFSGBUZBJSXRAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN2O/c16-12-8-10(17)6-7-11(12)14-13(15(18)20-19-14)9-4-2-1-3-5-9/h1-8H,18H2.
What are the key properties of 3-(2-chloro-4-fluorophenyl)-4-phenyl-1,2-oxazol-5-amine?
3-(2-chloro-4-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-(2-chloro-4-fluorophenyl)-4-phenyl-1,2-oxazol-5-amine is sourced from PubChem (CID 43158039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).