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

C15H9Cl2FN2O — CID 66197900

IUPAC5-(5-chloro-2-fluorophenyl)-4-(3-chlorophenyl)-1,2-oxazol-3-amine
SMILESNc1noc(-c2cc(Cl)ccc2F)c1-c1cccc(Cl)c1
InChIInChI=1S/C15H9Cl2FN2O/c16-9-3-1-2-8(6-9)13-14(21-20-15(13)19)11-7-10(17)4-5-12(11)18/h1-7H,(H2,19,20)
InChIKeyDXIDWNALBIYZIA-UHFFFAOYSA-N
MW323.15 g/mol
LogP5.04
Rot. Bonds2

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

5-(5-chloro-2-fluorophenyl)-4-(3-chlorophenyl)-1,2-oxazol-3-amine (PubChem CID 66197900) has the molecular formula C15H9Cl2FN2O and a molecular weight of 323.15 g/mol. Its IUPAC name is 5-(5-chloro-2-fluorophenyl)-4-(3-chlorophenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(5-chloro-2-fluorophenyl)-4-(3-chlorophenyl)-1,2-oxazol-3-amine
PubChem CID66197900
Molecular FormulaC15H9Cl2FN2O
Molecular Weight323.15 g/mol
Exact Mass322.01
IUPAC Name5-(5-chloro-2-fluorophenyl)-4-(3-chlorophenyl)-1,2-oxazol-3-amine
SMILESNc1noc(-c2cc(Cl)ccc2F)c1-c1cccc(Cl)c1
InChIInChI=1S/C15H9Cl2FN2O/c16-9-3-1-2-8(6-9)13-14(21-20-15(13)19)11-7-10(17)4-5-12(11)18/h1-7H,(H2,19,20)
InChIKeyDXIDWNALBIYZIA-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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Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-2-fluorophenyl)-4-(3-chlorophenyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(5-chloro-2-fluorophenyl)-4-(3-chlorophenyl)-1,2-oxazol-3-amine (CID 66197900) is 5-(5-chloro-2-fluorophenyl)-4-(3-chlorophenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(5-chloro-2-fluorophenyl)-4-(3-chlorophenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(5-chloro-2-fluorophenyl)-4-(3-chlorophenyl)-1,2-oxazol-3-amine is Nc1noc(-c2cc(Cl)ccc2F)c1-c1cccc(Cl)c1.
What is the InChIKey of 5-(5-chloro-2-fluorophenyl)-4-(3-chlorophenyl)-1,2-oxazol-3-amine?
The InChIKey is DXIDWNALBIYZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2FN2O/c16-9-3-1-2-8(6-9)13-14(21-20-15(13)19)11-7-10(17)4-5-12(11)18/h1-7H,(H2,19,20).
What are the key properties of 5-(5-chloro-2-fluorophenyl)-4-(3-chlorophenyl)-1,2-oxazol-3-amine?
5-(5-chloro-2-fluorophenyl)-4-(3-chlorophenyl)-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-(5-chloro-2-fluorophenyl)-4-(3-chlorophenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 66197900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).