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

C12H12Cl2N2O — CID 66206618

IUPAC4-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-3-amine
SMILESCC(C)c1onc(N)c1-c1c(Cl)cccc1Cl
InChIInChI=1S/C12H12Cl2N2O/c1-6(2)11-10(12(15)16-17-11)9-7(13)4-3-5-8(9)14/h3-6H,1-2H3,(H2,15,16)
InChIKeyWUKMBUBVHMNVMA-UHFFFAOYSA-N
MW271.15 g/mol
LogP4.35
Rot. Bonds2

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

4-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-3-amine (PubChem CID 66206618) has the molecular formula C12H12Cl2N2O and a molecular weight of 271.15 g/mol. Its IUPAC name is 4-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-3-amine
PubChem CID66206618
Molecular FormulaC12H12Cl2N2O
Molecular Weight271.15 g/mol
Exact Mass270.03
IUPAC Name4-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-3-amine
SMILESCC(C)c1onc(N)c1-c1c(Cl)cccc1Cl
InChIInChI=1S/C12H12Cl2N2O/c1-6(2)11-10(12(15)16-17-11)9-7(13)4-3-5-8(9)14/h3-6H,1-2H3,(H2,15,16)
InChIKeyWUKMBUBVHMNVMA-UHFFFAOYSA-N
XLogP4.35
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.15
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,6-dichlorophenyl)-5-pentan-2-yl-1,2-oxazol-3-amine
CID 66206420
4-(3-chloro-2-fluorophenyl)-5-propan-2-yl-1,2-oxazol-3-amine
CID 82808316
4-(2,6-dichlorophenyl)-5-(2-methylpropyl)-1,2-oxazol-3-amine
CID 66206819
4-(2,6-dichlorophenyl)-5-ethyl-1,2-oxazol-3-amine
CID 66206018
3-(2,6-dichlorophenyl)-4-methyl-5-propan-2-yl-1,2-oxazole;ethane
CID 142343393
4-(2,6-dichlorophenyl)-5-(2,2-dimethylpropyl)-1,2-oxazol-3-amine
CID 66206820
4-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-3-amine
CID 66200303
4-(3-chloro-2-fluorophenyl)-5-(1-methylsulfonylethyl)-1,2-oxazol-3-amine
CID 104522917
methyl 3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazole-4-carboxylate
CID 22176607
4-(2,6-dichlorophenyl)-5-heptyl-1,2-oxazol-3-amine
CID 66206625
ethyl 3-(2-chloro-6-methylphenyl)-5-propan-2-yl-1,2-oxazole-4-carboxylate
CID 142332307
4-(2-chlorophenyl)-5-(2,6-dichlorophenyl)-1,2-oxazol-3-amine
CID 66205609

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-3-amine?
The IUPAC name of 4-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-3-amine (CID 66206618) is 4-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-3-amine.
What is the SMILES notation for 4-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-3-amine?
The canonical SMILES for 4-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-3-amine is CC(C)c1onc(N)c1-c1c(Cl)cccc1Cl.
What is the InChIKey of 4-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-3-amine?
The InChIKey is WUKMBUBVHMNVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2O/c1-6(2)11-10(12(15)16-17-11)9-7(13)4-3-5-8(9)14/h3-6H,1-2H3,(H2,15,16).
What are the key properties of 4-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-3-amine?
4-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-3-amine has a molecular weight of 271.15 g/mol, XLogP of 4.35, 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-propan-2-yl-1,2-oxazol-3-amine is sourced from PubChem (CID 66206618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).