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

C11H12FN3O — CID 83129459

IUPACN-[[5-(5-fluoro-2-pyridinyl)-1,2-oxazol-3-yl]methyl]ethanamine
SMILESCCNCc1cc(-c2ccc(F)cn2)on1
InChIInChI=1S/C11H12FN3O/c1-2-13-7-9-5-11(16-15-9)10-4-3-8(12)6-14-10/h3-6,13H,2,7H2,1H3
InChIKeyRPDFDECQRYAUSX-UHFFFAOYSA-N
MW221.24 g/mol
LogP1.99
Rot. Bonds4

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

N-[[5-(5-fluoro-2-pyridinyl)-1,2-oxazol-3-yl]methyl]ethanamine (PubChem CID 83129459) has the molecular formula C11H12FN3O and a molecular weight of 221.24 g/mol. Its IUPAC name is N-[[5-(5-fluoro-2-pyridinyl)-1,2-oxazol-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(5-fluoro-2-pyridinyl)-1,2-oxazol-3-yl]methyl]ethanamine
PubChem CID83129459
Molecular FormulaC11H12FN3O
Molecular Weight221.24 g/mol
Exact Mass221.10
IUPAC NameN-[[5-(5-fluoro-2-pyridinyl)-1,2-oxazol-3-yl]methyl]ethanamine
SMILESCCNCc1cc(-c2ccc(F)cn2)on1
InChIInChI=1S/C11H12FN3O/c1-2-13-7-9-5-11(16-15-9)10-4-3-8(12)6-14-10/h3-6,13H,2,7H2,1H3
InChIKeyRPDFDECQRYAUSX-UHFFFAOYSA-N
XLogP1.99
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(5-fluoro-2-pyridinyl)-1,2-oxazol-3-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(5-fluoro-2-pyridinyl)-1,2-oxazol-3-yl]methyl]ethanamine (CID 83129459) is N-[[5-(5-fluoro-2-pyridinyl)-1,2-oxazol-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(5-fluoro-2-pyridinyl)-1,2-oxazol-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(5-fluoro-2-pyridinyl)-1,2-oxazol-3-yl]methyl]ethanamine is CCNCc1cc(-c2ccc(F)cn2)on1.
What is the InChIKey of N-[[5-(5-fluoro-2-pyridinyl)-1,2-oxazol-3-yl]methyl]ethanamine?
The InChIKey is RPDFDECQRYAUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O/c1-2-13-7-9-5-11(16-15-9)10-4-3-8(12)6-14-10/h3-6,13H,2,7H2,1H3.
What are the key properties of N-[[5-(5-fluoro-2-pyridinyl)-1,2-oxazol-3-yl]methyl]ethanamine?
N-[[5-(5-fluoro-2-pyridinyl)-1,2-oxazol-3-yl]methyl]ethanamine has a molecular weight of 221.24 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(5-fluoro-2-pyridinyl)-1,2-oxazol-3-yl]methyl]ethanamine is sourced from PubChem (CID 83129459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).