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

C14H16Cl2N2O — CID 66206820

IUPAC4-(2,6-dichlorophenyl)-5-(2,2-dimethylpropyl)-1,2-oxazol-3-amine
SMILESCC(C)(C)Cc1onc(N)c1-c1c(Cl)cccc1Cl
InChIInChI=1S/C14H16Cl2N2O/c1-14(2,3)7-10-12(13(17)18-19-10)11-8(15)5-4-6-9(11)16/h4-6H,7H2,1-3H3,(H2,17,18)
InChIKeyYFDRNPWHLONNBC-UHFFFAOYSA-N
MW299.20 g/mol
LogP4.82
Rot. Bonds2

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

4-(2,6-dichlorophenyl)-5-(2,2-dimethylpropyl)-1,2-oxazol-3-amine (PubChem CID 66206820) has the molecular formula C14H16Cl2N2O and a molecular weight of 299.20 g/mol. Its IUPAC name is 4-(2,6-dichlorophenyl)-5-(2,2-dimethylpropyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-(2,6-dichlorophenyl)-5-(2,2-dimethylpropyl)-1,2-oxazol-3-amine
PubChem CID66206820
Molecular FormulaC14H16Cl2N2O
Molecular Weight299.20 g/mol
Exact Mass298.06
IUPAC Name4-(2,6-dichlorophenyl)-5-(2,2-dimethylpropyl)-1,2-oxazol-3-amine
SMILESCC(C)(C)Cc1onc(N)c1-c1c(Cl)cccc1Cl
InChIInChI=1S/C14H16Cl2N2O/c1-14(2,3)7-10-12(13(17)18-19-10)11-8(15)5-4-6-9(11)16/h4-6H,7H2,1-3H3,(H2,17,18)
InChIKeyYFDRNPWHLONNBC-UHFFFAOYSA-N
XLogP4.82
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.20
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dichlorophenyl)-5-(2,2-dimethylpropyl)-1,2-oxazol-3-amine?
The IUPAC name of 4-(2,6-dichlorophenyl)-5-(2,2-dimethylpropyl)-1,2-oxazol-3-amine (CID 66206820) is 4-(2,6-dichlorophenyl)-5-(2,2-dimethylpropyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 4-(2,6-dichlorophenyl)-5-(2,2-dimethylpropyl)-1,2-oxazol-3-amine?
The canonical SMILES for 4-(2,6-dichlorophenyl)-5-(2,2-dimethylpropyl)-1,2-oxazol-3-amine is CC(C)(C)Cc1onc(N)c1-c1c(Cl)cccc1Cl.
What is the InChIKey of 4-(2,6-dichlorophenyl)-5-(2,2-dimethylpropyl)-1,2-oxazol-3-amine?
The InChIKey is YFDRNPWHLONNBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2O/c1-14(2,3)7-10-12(13(17)18-19-10)11-8(15)5-4-6-9(11)16/h4-6H,7H2,1-3H3,(H2,17,18).
What are the key properties of 4-(2,6-dichlorophenyl)-5-(2,2-dimethylpropyl)-1,2-oxazol-3-amine?
4-(2,6-dichlorophenyl)-5-(2,2-dimethylpropyl)-1,2-oxazol-3-amine has a molecular weight of 299.20 g/mol, XLogP of 4.82, 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-(2,2-dimethylpropyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 66206820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).