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

C15H9Cl2FN2O — CID 66198577

IUPAC5-(2,6-dichlorophenyl)-4-(3-fluorophenyl)-1,2-oxazol-3-amine
SMILESNc1noc(-c2c(Cl)cccc2Cl)c1-c1cccc(F)c1
InChIInChI=1S/C15H9Cl2FN2O/c16-10-5-2-6-11(17)13(10)14-12(15(19)20-21-14)8-3-1-4-9(18)7-8/h1-7H,(H2,19,20)
InChIKeyQKEOPZPHQHVFIJ-UHFFFAOYSA-N
MW323.15 g/mol
LogP5.04
Rot. Bonds2

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

5-(2,6-dichlorophenyl)-4-(3-fluorophenyl)-1,2-oxazol-3-amine (PubChem CID 66198577) has the molecular formula C15H9Cl2FN2O and a molecular weight of 323.15 g/mol. Its IUPAC name is 5-(2,6-dichlorophenyl)-4-(3-fluorophenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(2,6-dichlorophenyl)-4-(3-fluorophenyl)-1,2-oxazol-3-amine
PubChem CID66198577
Molecular FormulaC15H9Cl2FN2O
Molecular Weight323.15 g/mol
Exact Mass322.01
IUPAC Name5-(2,6-dichlorophenyl)-4-(3-fluorophenyl)-1,2-oxazol-3-amine
SMILESNc1noc(-c2c(Cl)cccc2Cl)c1-c1cccc(F)c1
InChIInChI=1S/C15H9Cl2FN2O/c16-10-5-2-6-11(17)13(10)14-12(15(19)20-21-14)8-3-1-4-9(18)7-8/h1-7H,(H2,19,20)
InChIKeyQKEOPZPHQHVFIJ-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

5-(4-bromo-2-chlorophenyl)-4-(3-fluorophenyl)-1,2-oxazol-3-amine
CID 66199777
4-(3-bromophenyl)-5-(2-chloro-6-fluorophenyl)-1,2-oxazol-3-amine
CID 66200850
5-(2-bromo-6-fluorophenyl)-4-(3-fluorophenyl)-1,2-oxazol-3-amine
CID 114561326
5-(3,4-difluorophenyl)-4-(3-fluorophenyl)-1,2-oxazol-3-amine
CID 66198579
5-(2,6-dichlorophenyl)-4-pyridin-4-yl-1,2-oxazol-3-amine
CID 80525736
5-(5-fluoro-2-methylphenyl)-4-(3-fluorophenyl)-1,2-oxazol-3-amine
CID 66197977
5-(2-chloro-6-fluorophenyl)-4-(4-methylphenyl)-1,2-oxazol-3-amine
CID 66200268
4-(3-fluorophenyl)-5-(2-methylfuran-3-yl)-1,2-oxazol-3-amine
CID 66198177
5-(4-bromo-2-fluorophenyl)-4-(3-fluorophenyl)-1,2-oxazol-3-amine
CID 66198773
4-(2-chlorophenyl)-5-(2,6-dichlorophenyl)-1,2-oxazol-3-amine
CID 66205609
5-(5-chloro-2-fluorophenyl)-4-(3-chlorophenyl)-1,2-oxazol-3-amine
CID 66197900
5-(2-bromo-5-fluorophenyl)-4-(3-chlorophenyl)-1,2-oxazol-3-amine
CID 66199097

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dichlorophenyl)-4-(3-fluorophenyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(2,6-dichlorophenyl)-4-(3-fluorophenyl)-1,2-oxazol-3-amine (CID 66198577) is 5-(2,6-dichlorophenyl)-4-(3-fluorophenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(2,6-dichlorophenyl)-4-(3-fluorophenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(2,6-dichlorophenyl)-4-(3-fluorophenyl)-1,2-oxazol-3-amine is Nc1noc(-c2c(Cl)cccc2Cl)c1-c1cccc(F)c1.
What is the InChIKey of 5-(2,6-dichlorophenyl)-4-(3-fluorophenyl)-1,2-oxazol-3-amine?
The InChIKey is QKEOPZPHQHVFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2FN2O/c16-10-5-2-6-11(17)13(10)14-12(15(19)20-21-14)8-3-1-4-9(18)7-8/h1-7H,(H2,19,20).
What are the key properties of 5-(2,6-dichlorophenyl)-4-(3-fluorophenyl)-1,2-oxazol-3-amine?
5-(2,6-dichlorophenyl)-4-(3-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-(2,6-dichlorophenyl)-4-(3-fluorophenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 66198577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).