1-[5-(2,4-dichloro-5-fluorophenyl)-1,2-oxazol-4-yl]-N-methylmethanamine

C11H9Cl2FN2O — CID 65239871

IUPAC1-[5-(2,4-dichloro-5-fluorophenyl)-1,2-oxazol-4-yl]-N-methylmethanamine
SMILESCNCc1cnoc1-c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C11H9Cl2FN2O/c1-15-4-6-5-16-17-11(6)7-2-10(14)9(13)3-8(7)12/h2-3,5,15H,4H2,1H3
InChIKeySNPFBXZFRYEYLV-UHFFFAOYSA-N
MW275.11 g/mol
LogP3.51
Rot. Bonds3

About 1-[5-(2,4-dichloro-5-fluorophenyl)-1,2-oxazol-4-yl]-N-methylmethanamine

1-[5-(2,4-dichloro-5-fluorophenyl)-1,2-oxazol-4-yl]-N-methylmethanamine (PubChem CID 65239871) has the molecular formula C11H9Cl2FN2O and a molecular weight of 275.11 g/mol. Its IUPAC name is 1-[5-(2,4-dichloro-5-fluorophenyl)-1,2-oxazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-(2,4-dichloro-5-fluorophenyl)-1,2-oxazol-4-yl]-N-methylmethanamine
PubChem CID65239871
Molecular FormulaC11H9Cl2FN2O
Molecular Weight275.11 g/mol
Exact Mass274.01
IUPAC Name1-[5-(2,4-dichloro-5-fluorophenyl)-1,2-oxazol-4-yl]-N-methylmethanamine
SMILESCNCc1cnoc1-c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C11H9Cl2FN2O/c1-15-4-6-5-16-17-11(6)7-2-10(14)9(13)3-8(7)12/h2-3,5,15H,4H2,1H3
InChIKeySNPFBXZFRYEYLV-UHFFFAOYSA-N
XLogP3.51
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.11
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,4-dichloro-5-fluorophenyl)-1,2-oxazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-(2,4-dichloro-5-fluorophenyl)-1,2-oxazol-4-yl]-N-methylmethanamine (CID 65239871) is 1-[5-(2,4-dichloro-5-fluorophenyl)-1,2-oxazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-(2,4-dichloro-5-fluorophenyl)-1,2-oxazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-(2,4-dichloro-5-fluorophenyl)-1,2-oxazol-4-yl]-N-methylmethanamine is CNCc1cnoc1-c1cc(F)c(Cl)cc1Cl.
What is the InChIKey of 1-[5-(2,4-dichloro-5-fluorophenyl)-1,2-oxazol-4-yl]-N-methylmethanamine?
The InChIKey is SNPFBXZFRYEYLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2FN2O/c1-15-4-6-5-16-17-11(6)7-2-10(14)9(13)3-8(7)12/h2-3,5,15H,4H2,1H3.
What are the key properties of 1-[5-(2,4-dichloro-5-fluorophenyl)-1,2-oxazol-4-yl]-N-methylmethanamine?
1-[5-(2,4-dichloro-5-fluorophenyl)-1,2-oxazol-4-yl]-N-methylmethanamine has a molecular weight of 275.11 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,4-dichloro-5-fluorophenyl)-1,2-oxazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 65239871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).