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

C13H14Cl2N2O — CID 66206819

IUPAC4-(2,6-dichlorophenyl)-5-(2-methylpropyl)-1,2-oxazol-3-amine
SMILESCC(C)Cc1onc(N)c1-c1c(Cl)cccc1Cl
InChIInChI=1S/C13H14Cl2N2O/c1-7(2)6-10-12(13(16)17-18-10)11-8(14)4-3-5-9(11)15/h3-5,7H,6H2,1-2H3,(H2,16,17)
InChIKeyNIEASUHJPVMBEV-UHFFFAOYSA-N
MW285.17 g/mol
LogP4.43
Rot. Bonds3

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

4-(2,6-dichlorophenyl)-5-(2-methylpropyl)-1,2-oxazol-3-amine (PubChem CID 66206819) has the molecular formula C13H14Cl2N2O and a molecular weight of 285.17 g/mol. Its IUPAC name is 4-(2,6-dichlorophenyl)-5-(2-methylpropyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-(2,6-dichlorophenyl)-5-(2-methylpropyl)-1,2-oxazol-3-amine
PubChem CID66206819
Molecular FormulaC13H14Cl2N2O
Molecular Weight285.17 g/mol
Exact Mass284.05
IUPAC Name4-(2,6-dichlorophenyl)-5-(2-methylpropyl)-1,2-oxazol-3-amine
SMILESCC(C)Cc1onc(N)c1-c1c(Cl)cccc1Cl
InChIInChI=1S/C13H14Cl2N2O/c1-7(2)6-10-12(13(16)17-18-10)11-8(14)4-3-5-9(11)15/h3-5,7H,6H2,1-2H3,(H2,16,17)
InChIKeyNIEASUHJPVMBEV-UHFFFAOYSA-N
XLogP4.43
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.17
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,6-dichlorophenyl)-5-ethyl-1,2-oxazol-3-amine
CID 66206018
4-(4-chlorophenyl)-5-(2-methylpropyl)-1,2-oxazol-3-amine
CID 66198932
4-(2,6-dichlorophenyl)-5-(2,2-dimethylpropyl)-1,2-oxazol-3-amine
CID 66206820
4-(2,6-dichlorophenyl)-5-heptyl-1,2-oxazol-3-amine
CID 66206625
4-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-3-amine
CID 66206618
4-(4-methylphenyl)-5-(2-methylpropyl)-1,2-oxazol-3-amine
CID 66199671
4-(2,6-dichlorophenyl)-5-pentan-2-yl-1,2-oxazol-3-amine
CID 66206420
5-(2-methylpropyl)-4-pyridin-3-yl-1,2-oxazol-3-amine
CID 80523942
3-chloro-5-(2-methylpropyl)-1,2-oxazol-4-amine
CID 105435952
5-(3-methylbutyl)-4-pyridin-4-yl-1,2-oxazol-3-amine
CID 80525854
4-(2,6-dichlorophenyl)-1-methyl-3-(2-methylpropyl)pyrazol-5-amine
CID 43336246
4-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-3-amine
CID 66200303

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dichlorophenyl)-5-(2-methylpropyl)-1,2-oxazol-3-amine?
The IUPAC name of 4-(2,6-dichlorophenyl)-5-(2-methylpropyl)-1,2-oxazol-3-amine (CID 66206819) is 4-(2,6-dichlorophenyl)-5-(2-methylpropyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 4-(2,6-dichlorophenyl)-5-(2-methylpropyl)-1,2-oxazol-3-amine?
The canonical SMILES for 4-(2,6-dichlorophenyl)-5-(2-methylpropyl)-1,2-oxazol-3-amine is CC(C)Cc1onc(N)c1-c1c(Cl)cccc1Cl.
What is the InChIKey of 4-(2,6-dichlorophenyl)-5-(2-methylpropyl)-1,2-oxazol-3-amine?
The InChIKey is NIEASUHJPVMBEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2O/c1-7(2)6-10-12(13(16)17-18-10)11-8(14)4-3-5-9(11)15/h3-5,7H,6H2,1-2H3,(H2,16,17).
What are the key properties of 4-(2,6-dichlorophenyl)-5-(2-methylpropyl)-1,2-oxazol-3-amine?
4-(2,6-dichlorophenyl)-5-(2-methylpropyl)-1,2-oxazol-3-amine has a molecular weight of 285.17 g/mol, XLogP of 4.43, 3 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-(2-methylpropyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 66206819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).