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

C15H9Cl3N2O — CID 66200527

IUPAC4-(4-chlorophenyl)-5-(2,3-dichlorophenyl)-1,2-oxazol-3-amine
SMILESNc1noc(-c2cccc(Cl)c2Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C15H9Cl3N2O/c16-9-6-4-8(5-7-9)12-14(21-20-15(12)19)10-2-1-3-11(17)13(10)18/h1-7H,(H2,19,20)
InChIKeyPERQBLQBBIPIIS-UHFFFAOYSA-N
MW339.61 g/mol
LogP5.55
Rot. Bonds2

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

4-(4-chlorophenyl)-5-(2,3-dichlorophenyl)-1,2-oxazol-3-amine (PubChem CID 66200527) has the molecular formula C15H9Cl3N2O and a molecular weight of 339.61 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-5-(2,3-dichlorophenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-5-(2,3-dichlorophenyl)-1,2-oxazol-3-amine
PubChem CID66200527
Molecular FormulaC15H9Cl3N2O
Molecular Weight339.61 g/mol
Exact Mass337.98
IUPAC Name4-(4-chlorophenyl)-5-(2,3-dichlorophenyl)-1,2-oxazol-3-amine
SMILESNc1noc(-c2cccc(Cl)c2Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C15H9Cl3N2O/c16-9-6-4-8(5-7-9)12-14(21-20-15(12)19)10-2-1-3-11(17)13(10)18/h1-7H,(H2,19,20)
InChIKeyPERQBLQBBIPIIS-UHFFFAOYSA-N
XLogP5.55
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.61
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-bromophenyl)-5-(2,3-dichlorophenyl)-1,2-oxazol-3-amine
CID 66198644
4,5-bis(4-chlorophenyl)-1,2-oxazol-3-amine
CID 66199527
5-(2-bromo-3-methylphenyl)-4-(4-chlorophenyl)-1,2-oxazol-3-amine
CID 107984272
5-(4-chlorophenyl)-4-phenyl-1,2-oxazol-3-amine
CID 66200717
5-(2-chlorophenyl)-4-(4-methoxyphenyl)-1,2-oxazol-3-amine
CID 66198750
5-(2-chloro-6-fluorophenyl)-4-(4-methylphenyl)-1,2-oxazol-3-amine
CID 66200268
5-(2,6-dichlorophenyl)-4-pyridin-4-yl-1,2-oxazol-3-amine
CID 80525736
4-(4-chlorophenyl)-5-(3,6-dimethylpyridazin-4-yl)-1,2-oxazol-3-amine
CID 104673131
4-(2-chlorophenyl)-5-(2,6-dichlorophenyl)-1,2-oxazol-3-amine
CID 66205609
4-(2-chlorophenyl)-5-(2-fluorophenyl)-1,2-oxazol-3-amine
CID 66206213
5-(5-chloro-2-fluorophenyl)-4-(3-chlorophenyl)-1,2-oxazol-3-amine
CID 66197900
4-(2-chlorophenyl)-5-(4-methylphenyl)-1,2-oxazol-3-amine
CID 66204374

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-5-(2,3-dichlorophenyl)-1,2-oxazol-3-amine?
The IUPAC name of 4-(4-chlorophenyl)-5-(2,3-dichlorophenyl)-1,2-oxazol-3-amine (CID 66200527) is 4-(4-chlorophenyl)-5-(2,3-dichlorophenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 4-(4-chlorophenyl)-5-(2,3-dichlorophenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 4-(4-chlorophenyl)-5-(2,3-dichlorophenyl)-1,2-oxazol-3-amine is Nc1noc(-c2cccc(Cl)c2Cl)c1-c1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-5-(2,3-dichlorophenyl)-1,2-oxazol-3-amine?
The InChIKey is PERQBLQBBIPIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl3N2O/c16-9-6-4-8(5-7-9)12-14(21-20-15(12)19)10-2-1-3-11(17)13(10)18/h1-7H,(H2,19,20).
What are the key properties of 4-(4-chlorophenyl)-5-(2,3-dichlorophenyl)-1,2-oxazol-3-amine?
4-(4-chlorophenyl)-5-(2,3-dichlorophenyl)-1,2-oxazol-3-amine has a molecular weight of 339.61 g/mol, XLogP of 5.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-5-(2,3-dichlorophenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 66200527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).