1-[2-(2,6-dichlorophenyl)-1,3-oxazol-4-yl]-N-methylmethanamine

C11H10Cl2N2O — CID 65289418

IUPAC1-[2-(2,6-dichlorophenyl)-1,3-oxazol-4-yl]-N-methylmethanamine
SMILESCNCc1coc(-c2c(Cl)cccc2Cl)n1
InChIInChI=1S/C11H10Cl2N2O/c1-14-5-7-6-16-11(15-7)10-8(12)3-2-4-9(10)13/h2-4,6,14H,5H2,1H3
InChIKeyXRRUSVWIYKINKQ-UHFFFAOYSA-N
MW257.12 g/mol
LogP3.37
Rot. Bonds3

About 1-[2-(2,6-dichlorophenyl)-1,3-oxazol-4-yl]-N-methylmethanamine

1-[2-(2,6-dichlorophenyl)-1,3-oxazol-4-yl]-N-methylmethanamine (PubChem CID 65289418) has the molecular formula C11H10Cl2N2O and a molecular weight of 257.12 g/mol. Its IUPAC name is 1-[2-(2,6-dichlorophenyl)-1,3-oxazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(2,6-dichlorophenyl)-1,3-oxazol-4-yl]-N-methylmethanamine
PubChem CID65289418
Molecular FormulaC11H10Cl2N2O
Molecular Weight257.12 g/mol
Exact Mass256.02
IUPAC Name1-[2-(2,6-dichlorophenyl)-1,3-oxazol-4-yl]-N-methylmethanamine
SMILESCNCc1coc(-c2c(Cl)cccc2Cl)n1
InChIInChI=1S/C11H10Cl2N2O/c1-14-5-7-6-16-11(15-7)10-8(12)3-2-4-9(10)13/h2-4,6,14H,5H2,1H3
InChIKeyXRRUSVWIYKINKQ-UHFFFAOYSA-N
XLogP3.37
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.12
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,6-dichlorophenyl)-1,3-oxazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(2,6-dichlorophenyl)-1,3-oxazol-4-yl]-N-methylmethanamine (CID 65289418) is 1-[2-(2,6-dichlorophenyl)-1,3-oxazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(2,6-dichlorophenyl)-1,3-oxazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(2,6-dichlorophenyl)-1,3-oxazol-4-yl]-N-methylmethanamine is CNCc1coc(-c2c(Cl)cccc2Cl)n1.
What is the InChIKey of 1-[2-(2,6-dichlorophenyl)-1,3-oxazol-4-yl]-N-methylmethanamine?
The InChIKey is XRRUSVWIYKINKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2O/c1-14-5-7-6-16-11(15-7)10-8(12)3-2-4-9(10)13/h2-4,6,14H,5H2,1H3.
What are the key properties of 1-[2-(2,6-dichlorophenyl)-1,3-oxazol-4-yl]-N-methylmethanamine?
1-[2-(2,6-dichlorophenyl)-1,3-oxazol-4-yl]-N-methylmethanamine has a molecular weight of 257.12 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,6-dichlorophenyl)-1,3-oxazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 65289418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).