4-(2,6-dichlorophenyl)-3-(2-fluorophenyl)-1,2-oxazol-5-amine

C15H9Cl2FN2O — CID 43157909

IUPAC4-(2,6-dichlorophenyl)-3-(2-fluorophenyl)-1,2-oxazol-5-amine
SMILESNc1onc(-c2ccccc2F)c1-c1c(Cl)cccc1Cl
InChIInChI=1S/C15H9Cl2FN2O/c16-9-5-3-6-10(17)12(9)13-14(20-21-15(13)19)8-4-1-2-7-11(8)18/h1-7H,19H2
InChIKeyHMQSXXNEXKZADU-UHFFFAOYSA-N
MW323.15 g/mol
LogP5.04
Rot. Bonds2

About 4-(2,6-dichlorophenyl)-3-(2-fluorophenyl)-1,2-oxazol-5-amine

4-(2,6-dichlorophenyl)-3-(2-fluorophenyl)-1,2-oxazol-5-amine (PubChem CID 43157909) has the molecular formula C15H9Cl2FN2O and a molecular weight of 323.15 g/mol. Its IUPAC name is 4-(2,6-dichlorophenyl)-3-(2-fluorophenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(2,6-dichlorophenyl)-3-(2-fluorophenyl)-1,2-oxazol-5-amine
PubChem CID43157909
Molecular FormulaC15H9Cl2FN2O
Molecular Weight323.15 g/mol
Exact Mass322.01
IUPAC Name4-(2,6-dichlorophenyl)-3-(2-fluorophenyl)-1,2-oxazol-5-amine
SMILESNc1onc(-c2ccccc2F)c1-c1c(Cl)cccc1Cl
InChIInChI=1S/C15H9Cl2FN2O/c16-9-5-3-6-10(17)12(9)13-14(20-21-15(13)19)8-4-1-2-7-11(8)18/h1-7H,19H2
InChIKeyHMQSXXNEXKZADU-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 4-(2,6-dichlorophenyl)-3-(2-fluorophenyl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(2,6-dichlorophenyl)-3-(2-fluorophenyl)-1,2-oxazol-5-amine (CID 43157909) is 4-(2,6-dichlorophenyl)-3-(2-fluorophenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(2,6-dichlorophenyl)-3-(2-fluorophenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(2,6-dichlorophenyl)-3-(2-fluorophenyl)-1,2-oxazol-5-amine is Nc1onc(-c2ccccc2F)c1-c1c(Cl)cccc1Cl.
What is the InChIKey of 4-(2,6-dichlorophenyl)-3-(2-fluorophenyl)-1,2-oxazol-5-amine?
The InChIKey is HMQSXXNEXKZADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2FN2O/c16-9-5-3-6-10(17)12(9)13-14(20-21-15(13)19)8-4-1-2-7-11(8)18/h1-7H,19H2.
What are the key properties of 4-(2,6-dichlorophenyl)-3-(2-fluorophenyl)-1,2-oxazol-5-amine?
4-(2,6-dichlorophenyl)-3-(2-fluorophenyl)-1,2-oxazol-5-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 4-(2,6-dichlorophenyl)-3-(2-fluorophenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 43157909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).