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

C15H9Cl3N2O — CID 66205609

IUPAC4-(2-chlorophenyl)-5-(2,6-dichlorophenyl)-1,2-oxazol-3-amine
SMILESNc1noc(-c2c(Cl)cccc2Cl)c1-c1ccccc1Cl
InChIInChI=1S/C15H9Cl3N2O/c16-9-5-2-1-4-8(9)12-14(21-20-15(12)19)13-10(17)6-3-7-11(13)18/h1-7H,(H2,19,20)
InChIKeyATHHWYLEDXIDHX-UHFFFAOYSA-N
MW339.61 g/mol
LogP5.55
Rot. Bonds2

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

4-(2-chlorophenyl)-5-(2,6-dichlorophenyl)-1,2-oxazol-3-amine (PubChem CID 66205609) has the molecular formula C15H9Cl3N2O and a molecular weight of 339.61 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-5-(2,6-dichlorophenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-(2-chlorophenyl)-5-(2,6-dichlorophenyl)-1,2-oxazol-3-amine
PubChem CID66205609
Molecular FormulaC15H9Cl3N2O
Molecular Weight339.61 g/mol
Exact Mass337.98
IUPAC Name4-(2-chlorophenyl)-5-(2,6-dichlorophenyl)-1,2-oxazol-3-amine
SMILESNc1noc(-c2c(Cl)cccc2Cl)c1-c1ccccc1Cl
InChIInChI=1S/C15H9Cl3N2O/c16-9-5-2-1-4-8(9)12-14(21-20-15(12)19)13-10(17)6-3-7-11(13)18/h1-7H,(H2,19,20)
InChIKeyATHHWYLEDXIDHX-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-(2-chlorophenyl)-5-(2-fluorophenyl)-1,2-oxazol-3-amine
CID 66206213
4-(2-chlorophenyl)-5-(4-methylphenyl)-1,2-oxazol-3-amine
CID 66204374
4-(2-chlorophenyl)-5-(4-iodophenyl)-1,2-oxazol-3-amine
CID 66205607
4-(2-chlorophenyl)-5-(4-fluorophenyl)-1,2-oxazol-3-amine
CID 66205397
4-(2-chlorophenyl)-5-(3,5-dimethylphenyl)-1,2-oxazol-3-amine
CID 66207019
5-(2,6-dichlorophenyl)-4-pyridin-4-yl-1,2-oxazol-3-amine
CID 80525736
4-chloro-5-(2-chlorophenyl)-1,2-oxazol-3-amine
CID 79555769
4-(2-chlorophenyl)-5-(4-methoxyphenyl)-1,2-oxazol-3-amine
CID 66204576
5-(3-bromo-5-chlorophenyl)-4-(2-chlorophenyl)-1,2-oxazol-3-amine
CID 107954780
5-(2-chlorophenyl)-4-methyl-1,2-oxazol-3-amine
CID 66198805
5-(2,6-dichlorophenyl)-4-(3-fluorophenyl)-1,2-oxazol-3-amine
CID 66198577
5-(2-chlorophenyl)-4-(2,4-difluorophenyl)-1,2-oxazol-3-amine
CID 66202274

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-5-(2,6-dichlorophenyl)-1,2-oxazol-3-amine?
The IUPAC name of 4-(2-chlorophenyl)-5-(2,6-dichlorophenyl)-1,2-oxazol-3-amine (CID 66205609) is 4-(2-chlorophenyl)-5-(2,6-dichlorophenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 4-(2-chlorophenyl)-5-(2,6-dichlorophenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 4-(2-chlorophenyl)-5-(2,6-dichlorophenyl)-1,2-oxazol-3-amine is Nc1noc(-c2c(Cl)cccc2Cl)c1-c1ccccc1Cl.
What is the InChIKey of 4-(2-chlorophenyl)-5-(2,6-dichlorophenyl)-1,2-oxazol-3-amine?
The InChIKey is ATHHWYLEDXIDHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl3N2O/c16-9-5-2-1-4-8(9)12-14(21-20-15(12)19)13-10(17)6-3-7-11(13)18/h1-7H,(H2,19,20).
What are the key properties of 4-(2-chlorophenyl)-5-(2,6-dichlorophenyl)-1,2-oxazol-3-amine?
4-(2-chlorophenyl)-5-(2,6-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-(2-chlorophenyl)-5-(2,6-dichlorophenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 66205609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).