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

C16H20Cl2N2O — CID 66206625

IUPAC4-(2,6-dichlorophenyl)-5-heptyl-1,2-oxazol-3-amine
SMILESCCCCCCCc1onc(N)c1-c1c(Cl)cccc1Cl
InChIInChI=1S/C16H20Cl2N2O/c1-2-3-4-5-6-10-13-15(16(19)20-21-13)14-11(17)8-7-9-12(14)18/h7-9H,2-6,10H2,1H3,(H2,19,20)
InChIKeyFLYUOVQVHWPUDF-UHFFFAOYSA-N
MW327.25 g/mol
LogP5.74
Rot. Bonds7

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

4-(2,6-dichlorophenyl)-5-heptyl-1,2-oxazol-3-amine (PubChem CID 66206625) has the molecular formula C16H20Cl2N2O and a molecular weight of 327.25 g/mol. Its IUPAC name is 4-(2,6-dichlorophenyl)-5-heptyl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-(2,6-dichlorophenyl)-5-heptyl-1,2-oxazol-3-amine
PubChem CID66206625
Molecular FormulaC16H20Cl2N2O
Molecular Weight327.25 g/mol
Exact Mass326.10
IUPAC Name4-(2,6-dichlorophenyl)-5-heptyl-1,2-oxazol-3-amine
SMILESCCCCCCCc1onc(N)c1-c1c(Cl)cccc1Cl
InChIInChI=1S/C16H20Cl2N2O/c1-2-3-4-5-6-10-13-15(16(19)20-21-13)14-11(17)8-7-9-12(14)18/h7-9H,2-6,10H2,1H3,(H2,19,20)
InChIKeyFLYUOVQVHWPUDF-UHFFFAOYSA-N
XLogP5.74
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.25
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(2,6-dichlorophenyl)-5-heptyl-1,2-oxazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-(2,6-dichlorophenyl)-5-ethyl-1,2-oxazol-3-amine
CID 66206018
4-(4-chlorophenyl)-5-heptyl-1,2-oxazol-3-amine
CID 66197935
4-(2,6-dichlorophenyl)-5-(2-methylpropyl)-1,2-oxazol-3-amine
CID 66206819
4-(2,6-dichlorophenyl)-5-(2,2-dimethylpropyl)-1,2-oxazol-3-amine
CID 66206820
4-(3-bromophenyl)-5-octyl-1,2-oxazol-3-amine
CID 66199444
5-pentyl-4-(4-propan-2-ylphenyl)-1,2-oxazol-3-amine
CID 66203226
4-(2,6-dichlorophenyl)-5-pentan-2-yl-1,2-oxazol-3-amine
CID 66206420
4-(2-methylpropyl)-5-octyl-1,2-oxazol-3-amine
CID 66199050
4-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-3-amine
CID 66206618
5-butyl-4-(5-chloro-2-methoxyphenyl)-1,2-oxazol-3-amine
CID 66198020

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dichlorophenyl)-5-heptyl-1,2-oxazol-3-amine?
The IUPAC name of 4-(2,6-dichlorophenyl)-5-heptyl-1,2-oxazol-3-amine (CID 66206625) is 4-(2,6-dichlorophenyl)-5-heptyl-1,2-oxazol-3-amine.
What is the SMILES notation for 4-(2,6-dichlorophenyl)-5-heptyl-1,2-oxazol-3-amine?
The canonical SMILES for 4-(2,6-dichlorophenyl)-5-heptyl-1,2-oxazol-3-amine is CCCCCCCc1onc(N)c1-c1c(Cl)cccc1Cl.
What is the InChIKey of 4-(2,6-dichlorophenyl)-5-heptyl-1,2-oxazol-3-amine?
The InChIKey is FLYUOVQVHWPUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2N2O/c1-2-3-4-5-6-10-13-15(16(19)20-21-13)14-11(17)8-7-9-12(14)18/h7-9H,2-6,10H2,1H3,(H2,19,20).
What are the key properties of 4-(2,6-dichlorophenyl)-5-heptyl-1,2-oxazol-3-amine?
4-(2,6-dichlorophenyl)-5-heptyl-1,2-oxazol-3-amine has a molecular weight of 327.25 g/mol, XLogP of 5.74, 7 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-heptyl-1,2-oxazol-3-amine is sourced from PubChem (CID 66206625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).