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

C12H14FN3O — CID 83129558

IUPACN-[[5-(5-fluoro-2-pyridinyl)-1,2-oxazol-3-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cc(-c2ccc(F)cn2)on1
InChIInChI=1S/C12H14FN3O/c1-8(2)14-7-10-5-12(17-16-10)11-4-3-9(13)6-15-11/h3-6,8,14H,7H2,1-2H3
InChIKeyXWSPFISLHGPPCS-UHFFFAOYSA-N
MW235.26 g/mol
LogP2.37
Rot. Bonds4

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

N-[[5-(5-fluoro-2-pyridinyl)-1,2-oxazol-3-yl]methyl]propan-2-amine (PubChem CID 83129558) has the molecular formula C12H14FN3O and a molecular weight of 235.26 g/mol. Its IUPAC name is N-[[5-(5-fluoro-2-pyridinyl)-1,2-oxazol-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-(5-fluoro-2-pyridinyl)-1,2-oxazol-3-yl]methyl]propan-2-amine
PubChem CID83129558
Molecular FormulaC12H14FN3O
Molecular Weight235.26 g/mol
Exact Mass235.11
IUPAC NameN-[[5-(5-fluoro-2-pyridinyl)-1,2-oxazol-3-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cc(-c2ccc(F)cn2)on1
InChIInChI=1S/C12H14FN3O/c1-8(2)14-7-10-5-12(17-16-10)11-4-3-9(13)6-15-11/h3-6,8,14H,7H2,1-2H3
InChIKeyXWSPFISLHGPPCS-UHFFFAOYSA-N
XLogP2.37
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 52.37
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]propan-2-amine?
The IUPAC name of N-[[5-(5-fluoro-2-pyridinyl)-1,2-oxazol-3-yl]methyl]propan-2-amine (CID 83129558) is N-[[5-(5-fluoro-2-pyridinyl)-1,2-oxazol-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-(5-fluoro-2-pyridinyl)-1,2-oxazol-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-(5-fluoro-2-pyridinyl)-1,2-oxazol-3-yl]methyl]propan-2-amine is CC(C)NCc1cc(-c2ccc(F)cn2)on1.
What is the InChIKey of N-[[5-(5-fluoro-2-pyridinyl)-1,2-oxazol-3-yl]methyl]propan-2-amine?
The InChIKey is XWSPFISLHGPPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O/c1-8(2)14-7-10-5-12(17-16-10)11-4-3-9(13)6-15-11/h3-6,8,14H,7H2,1-2H3.
What are the key properties of N-[[5-(5-fluoro-2-pyridinyl)-1,2-oxazol-3-yl]methyl]propan-2-amine?
N-[[5-(5-fluoro-2-pyridinyl)-1,2-oxazol-3-yl]methyl]propan-2-amine has a molecular weight of 235.26 g/mol, XLogP of 2.37, 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]propan-2-amine is sourced from PubChem (CID 83129558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).