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

C11H10Cl2N2O — CID 66206018

IUPAC4-(2,6-dichlorophenyl)-5-ethyl-1,2-oxazol-3-amine
SMILESCCc1onc(N)c1-c1c(Cl)cccc1Cl
InChIInChI=1S/C11H10Cl2N2O/c1-2-8-10(11(14)15-16-8)9-6(12)4-3-5-7(9)13/h3-5H,2H2,1H3,(H2,14,15)
InChIKeyMGIQIJHXYHGXMH-UHFFFAOYSA-N
MW257.12 g/mol
LogP3.79
Rot. Bonds2

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

4-(2,6-dichlorophenyl)-5-ethyl-1,2-oxazol-3-amine (PubChem CID 66206018) has the molecular formula C11H10Cl2N2O and a molecular weight of 257.12 g/mol. Its IUPAC name is 4-(2,6-dichlorophenyl)-5-ethyl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-(2,6-dichlorophenyl)-5-ethyl-1,2-oxazol-3-amine
PubChem CID66206018
Molecular FormulaC11H10Cl2N2O
Molecular Weight257.12 g/mol
Exact Mass256.02
IUPAC Name4-(2,6-dichlorophenyl)-5-ethyl-1,2-oxazol-3-amine
SMILESCCc1onc(N)c1-c1c(Cl)cccc1Cl
InChIInChI=1S/C11H10Cl2N2O/c1-2-8-10(11(14)15-16-8)9-6(12)4-3-5-7(9)13/h3-5H,2H2,1H3,(H2,14,15)
InChIKeyMGIQIJHXYHGXMH-UHFFFAOYSA-N
XLogP3.79
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.12
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,6-dichlorophenyl)-5-(2,2-dimethylpropyl)-1,2-oxazol-3-amine
CID 66206820
4-(2,6-dichlorophenyl)-5-(2-methylpropyl)-1,2-oxazol-3-amine
CID 66206819
4-(2,6-dichlorophenyl)-5-heptyl-1,2-oxazol-3-amine
CID 66206625
4-(2,6-dichlorophenyl)-5-pentan-2-yl-1,2-oxazol-3-amine
CID 66206420
4-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-3-amine
CID 66206618
4-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-3-amine
CID 66200303
4-(2-chlorophenyl)-5-octyl-1,2-oxazol-3-amine
CID 66206616
4-(3-chloro-2-fluorophenyl)-5-heptyl-1,2-oxazol-3-amine
CID 82792888
4-(2-chlorophenyl)-5-(2,6-dichlorophenyl)-1,2-oxazol-3-amine
CID 66205609
4-(2,6-dichlorophenyl)-5-pentan-3-yl-1H-pyrazol-3-amine
CID 43334843
5-(2,6-dichlorophenyl)-4-pyridin-4-yl-1,2-oxazol-3-amine
CID 80525736
5-(2-chloro-6-fluorophenyl)-4-(4-methylphenyl)-1,2-oxazol-3-amine
CID 66200268

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dichlorophenyl)-5-ethyl-1,2-oxazol-3-amine?
The IUPAC name of 4-(2,6-dichlorophenyl)-5-ethyl-1,2-oxazol-3-amine (CID 66206018) is 4-(2,6-dichlorophenyl)-5-ethyl-1,2-oxazol-3-amine.
What is the SMILES notation for 4-(2,6-dichlorophenyl)-5-ethyl-1,2-oxazol-3-amine?
The canonical SMILES for 4-(2,6-dichlorophenyl)-5-ethyl-1,2-oxazol-3-amine is CCc1onc(N)c1-c1c(Cl)cccc1Cl.
What is the InChIKey of 4-(2,6-dichlorophenyl)-5-ethyl-1,2-oxazol-3-amine?
The InChIKey is MGIQIJHXYHGXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2O/c1-2-8-10(11(14)15-16-8)9-6(12)4-3-5-7(9)13/h3-5H,2H2,1H3,(H2,14,15).
What are the key properties of 4-(2,6-dichlorophenyl)-5-ethyl-1,2-oxazol-3-amine?
4-(2,6-dichlorophenyl)-5-ethyl-1,2-oxazol-3-amine has a molecular weight of 257.12 g/mol, XLogP of 3.79, 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)-5-ethyl-1,2-oxazol-3-amine is sourced from PubChem (CID 66206018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).