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

C10H8Cl2N2O — CID 2726373

IUPAC3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-amine
SMILESCc1onc(-c2c(Cl)cccc2Cl)c1N
InChIInChI=1S/C10H8Cl2N2O/c1-5-9(13)10(14-15-5)8-6(11)3-2-4-7(8)12/h2-4H,13H2,1H3
InChIKeyDFVNGPMXTNAUPZ-UHFFFAOYSA-N
MW243.09 g/mol
LogP3.54
Rot. Bonds1

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

3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-amine (PubChem CID 2726373) has the molecular formula C10H8Cl2N2O and a molecular weight of 243.09 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-amine.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-amine
PubChem CID2726373
Molecular FormulaC10H8Cl2N2O
Molecular Weight243.09 g/mol
Exact Mass242.00
IUPAC Name3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-amine
SMILESCc1onc(-c2c(Cl)cccc2Cl)c1N
InChIInChI=1S/C10H8Cl2N2O/c1-5-9(13)10(14-15-5)8-6(11)3-2-4-7(8)12/h2-4H,13H2,1H3
InChIKeyDFVNGPMXTNAUPZ-UHFFFAOYSA-N
XLogP3.54
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.09
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-amine?
The IUPAC name of 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-amine (CID 2726373) is 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-amine.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-amine?
The canonical SMILES for 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-amine is Cc1onc(-c2c(Cl)cccc2Cl)c1N.
What is the InChIKey of 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-amine?
The InChIKey is DFVNGPMXTNAUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N2O/c1-5-9(13)10(14-15-5)8-6(11)3-2-4-7(8)12/h2-4H,13H2,1H3.
What are the key properties of 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-amine?
3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-amine has a molecular weight of 243.09 g/mol, XLogP of 3.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-amine is sourced from PubChem (CID 2726373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).