1-(4-fluoro-3-methoxyphenyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]ethanamine

C15H19FN2O2 — CID 103893791

IUPAC1-(4-fluoro-3-methoxyphenyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]ethanamine
SMILESCOc1cc(C(C)NC(C)c2ncc(C)o2)ccc1F
InChIInChI=1S/C15H19FN2O2/c1-9-8-17-15(20-9)11(3)18-10(2)12-5-6-13(16)14(7-12)19-4/h5-8,10-11,18H,1-4H3
InChIKeyRRZFZCGXIKDBMO-UHFFFAOYSA-N
MW278.33 g/mol
LogP3.54
Rot. Bonds5

About 1-(4-fluoro-3-methoxyphenyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]ethanamine

1-(4-fluoro-3-methoxyphenyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]ethanamine (PubChem CID 103893791) has the molecular formula C15H19FN2O2 and a molecular weight of 278.33 g/mol. Its IUPAC name is 1-(4-fluoro-3-methoxyphenyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(4-fluoro-3-methoxyphenyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]ethanamine
PubChem CID103893791
Molecular FormulaC15H19FN2O2
Molecular Weight278.33 g/mol
Exact Mass278.14
IUPAC Name1-(4-fluoro-3-methoxyphenyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]ethanamine
SMILESCOc1cc(C(C)NC(C)c2ncc(C)o2)ccc1F
InChIInChI=1S/C15H19FN2O2/c1-9-8-17-15(20-9)11(3)18-10(2)12-5-6-13(16)14(7-12)19-4/h5-8,10-11,18H,1-4H3
InChIKeyRRZFZCGXIKDBMO-UHFFFAOYSA-N
XLogP3.54
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methoxyphenyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]ethanamine?
The IUPAC name of 1-(4-fluoro-3-methoxyphenyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]ethanamine (CID 103893791) is 1-(4-fluoro-3-methoxyphenyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(4-fluoro-3-methoxyphenyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]ethanamine?
The canonical SMILES for 1-(4-fluoro-3-methoxyphenyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]ethanamine is COc1cc(C(C)NC(C)c2ncc(C)o2)ccc1F.
What is the InChIKey of 1-(4-fluoro-3-methoxyphenyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]ethanamine?
The InChIKey is RRZFZCGXIKDBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O2/c1-9-8-17-15(20-9)11(3)18-10(2)12-5-6-13(16)14(7-12)19-4/h5-8,10-11,18H,1-4H3.
What are the key properties of 1-(4-fluoro-3-methoxyphenyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]ethanamine?
1-(4-fluoro-3-methoxyphenyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]ethanamine has a molecular weight of 278.33 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methoxyphenyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]ethanamine is sourced from PubChem (CID 103893791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).