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

C15H9Cl2FN2O — CID 66198160

IUPAC5-(3,5-dichlorophenyl)-4-(2-fluorophenyl)-1,2-oxazol-3-amine
SMILESNc1noc(-c2cc(Cl)cc(Cl)c2)c1-c1ccccc1F
InChIInChI=1S/C15H9Cl2FN2O/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)
InChIKeyJLWSRBKQFKLHEI-UHFFFAOYSA-N
MW323.15 g/mol
LogP5.04
Rot. Bonds2

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

5-(3,5-dichlorophenyl)-4-(2-fluorophenyl)-1,2-oxazol-3-amine (PubChem CID 66198160) has the molecular formula C15H9Cl2FN2O and a molecular weight of 323.15 g/mol. Its IUPAC name is 5-(3,5-dichlorophenyl)-4-(2-fluorophenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(3,5-dichlorophenyl)-4-(2-fluorophenyl)-1,2-oxazol-3-amine
PubChem CID66198160
Molecular FormulaC15H9Cl2FN2O
Molecular Weight323.15 g/mol
Exact Mass322.01
IUPAC Name5-(3,5-dichlorophenyl)-4-(2-fluorophenyl)-1,2-oxazol-3-amine
SMILESNc1noc(-c2cc(Cl)cc(Cl)c2)c1-c1ccccc1F
InChIInChI=1S/C15H9Cl2FN2O/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)
InChIKeyJLWSRBKQFKLHEI-UHFFFAOYSA-N
XLogP5.04
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.15
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-Chlorophenyl)-5-methyl-4-phenyl-1,2-oxazole
CID 44194809
4-Chloro-5-phenyl-1,2-oxazol-3-amine
CID 12371363
5-(4-Chlorophenyl)-1,2-oxazol-3-amine
CID 13035539
3-(2-Chlorophenyl)-4-(2-fluorophenyl)-5-methyl-1,2-oxazole
CID 44194815
3-(3,5-Dichlorophenyl)-4-(2-fluorophenyl)-1,2-oxazol-5-amine
CID 61552956
5-(2-Fluorophenyl)-4-methyl-1,2-oxazol-3-amine
CID 66199795
5-(2-Chlorophenyl)-1,2-oxazol-3-amine
CID 66200617
4-Methyl-5-phenyl-1,2-oxazol-3-amine hydrochloride
CID 139026301
4-(4-Chlorophenyl)-5-phenyl-3-(trifluoromethyl)-isoxazole
CID 166451205
4-Chloro-5-(4-(trifluoromethyl)phenyl)-3-aminoisoxazole
CID 12960075
4-(4-Chlorophenyl)-5-(trifluoromethyl)-1,2-oxazol-3-amine
CID 15613896
4-(2,6-Dichlorophenyl)-3-(2-fluorophenyl)-1,2-oxazol-5-amine
CID 43157909

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dichlorophenyl)-4-(2-fluorophenyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(3,5-dichlorophenyl)-4-(2-fluorophenyl)-1,2-oxazol-3-amine (CID 66198160) is 5-(3,5-dichlorophenyl)-4-(2-fluorophenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(3,5-dichlorophenyl)-4-(2-fluorophenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(3,5-dichlorophenyl)-4-(2-fluorophenyl)-1,2-oxazol-3-amine is Nc1noc(-c2cc(Cl)cc(Cl)c2)c1-c1ccccc1F.
What is the InChIKey of 5-(3,5-dichlorophenyl)-4-(2-fluorophenyl)-1,2-oxazol-3-amine?
The InChIKey is JLWSRBKQFKLHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2FN2O/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-dichlorophenyl)-4-(2-fluorophenyl)-1,2-oxazol-3-amine?
5-(3,5-dichlorophenyl)-4-(2-fluorophenyl)-1,2-oxazol-3-amine has a molecular weight of 323.15 g/mol, XLogP of 5.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dichlorophenyl)-4-(2-fluorophenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 66198160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).