1-[5-(4-chloro-2-fluorophenyl)-1,3-oxazol-2-yl]ethanamine

C11H10ClFN2O — CID 65179061

IUPAC1-[5-(4-chloro-2-fluorophenyl)-1,3-oxazol-2-yl]ethanamine
SMILESCC(N)c1ncc(-c2ccc(Cl)cc2F)o1
InChIInChI=1S/C11H10ClFN2O/c1-6(14)11-15-5-10(16-11)8-3-2-7(12)4-9(8)13/h2-6H,14H2,1H3
InChIKeyHWMRBLQCLBADRB-UHFFFAOYSA-N
MW240.67 g/mol
LogP3.15
Rot. Bonds2

About 1-[5-(4-chloro-2-fluorophenyl)-1,3-oxazol-2-yl]ethanamine

1-[5-(4-chloro-2-fluorophenyl)-1,3-oxazol-2-yl]ethanamine (PubChem CID 65179061) has the molecular formula C11H10ClFN2O and a molecular weight of 240.67 g/mol. Its IUPAC name is 1-[5-(4-chloro-2-fluorophenyl)-1,3-oxazol-2-yl]ethanamine.

Molecular Properties

Compound Name1-[5-(4-chloro-2-fluorophenyl)-1,3-oxazol-2-yl]ethanamine
PubChem CID65179061
Molecular FormulaC11H10ClFN2O
Molecular Weight240.67 g/mol
Exact Mass240.05
IUPAC Name1-[5-(4-chloro-2-fluorophenyl)-1,3-oxazol-2-yl]ethanamine
SMILESCC(N)c1ncc(-c2ccc(Cl)cc2F)o1
InChIInChI=1S/C11H10ClFN2O/c1-6(14)11-15-5-10(16-11)8-3-2-7(12)4-9(8)13/h2-6H,14H2,1H3
InChIKeyHWMRBLQCLBADRB-UHFFFAOYSA-N
XLogP3.15
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.67
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-chloro-2-fluorophenyl)-1,3-oxazol-2-yl]ethanamine?
The IUPAC name of 1-[5-(4-chloro-2-fluorophenyl)-1,3-oxazol-2-yl]ethanamine (CID 65179061) is 1-[5-(4-chloro-2-fluorophenyl)-1,3-oxazol-2-yl]ethanamine.
What is the SMILES notation for 1-[5-(4-chloro-2-fluorophenyl)-1,3-oxazol-2-yl]ethanamine?
The canonical SMILES for 1-[5-(4-chloro-2-fluorophenyl)-1,3-oxazol-2-yl]ethanamine is CC(N)c1ncc(-c2ccc(Cl)cc2F)o1.
What is the InChIKey of 1-[5-(4-chloro-2-fluorophenyl)-1,3-oxazol-2-yl]ethanamine?
The InChIKey is HWMRBLQCLBADRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2O/c1-6(14)11-15-5-10(16-11)8-3-2-7(12)4-9(8)13/h2-6H,14H2,1H3.
What are the key properties of 1-[5-(4-chloro-2-fluorophenyl)-1,3-oxazol-2-yl]ethanamine?
1-[5-(4-chloro-2-fluorophenyl)-1,3-oxazol-2-yl]ethanamine has a molecular weight of 240.67 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-chloro-2-fluorophenyl)-1,3-oxazol-2-yl]ethanamine is sourced from PubChem (CID 65179061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).