[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]methanamine

C12H14FN3O — CID 64759373

IUPAC[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]methanamine
SMILESCC(C)(c1ccc(F)cc1)c1noc(CN)n1
InChIInChI=1S/C12H14FN3O/c1-12(2,8-3-5-9(13)6-4-8)11-15-10(7-14)17-16-11/h3-6H,7,14H2,1-2H3
InChIKeyHZCXRCJUBFKFMO-UHFFFAOYSA-N
MW235.26 g/mol
LogP1.99
Rot. Bonds3

About [3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]methanamine

[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]methanamine (PubChem CID 64759373) has the molecular formula C12H14FN3O and a molecular weight of 235.26 g/mol. Its IUPAC name is [3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]methanamine
PubChem CID64759373
Molecular FormulaC12H14FN3O
Molecular Weight235.26 g/mol
Exact Mass235.11
IUPAC Name[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]methanamine
SMILESCC(C)(c1ccc(F)cc1)c1noc(CN)n1
InChIInChI=1S/C12H14FN3O/c1-12(2,8-3-5-9(13)6-4-8)11-15-10(7-14)17-16-11/h3-6H,7,14H2,1-2H3
InChIKeyHZCXRCJUBFKFMO-UHFFFAOYSA-N
XLogP1.99
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]methanamine?
The IUPAC name of [3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]methanamine (CID 64759373) is [3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]methanamine.
What is the SMILES notation for [3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]methanamine?
The canonical SMILES for [3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]methanamine is CC(C)(c1ccc(F)cc1)c1noc(CN)n1.
What is the InChIKey of [3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]methanamine?
The InChIKey is HZCXRCJUBFKFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O/c1-12(2,8-3-5-9(13)6-4-8)11-15-10(7-14)17-16-11/h3-6H,7,14H2,1-2H3.
What are the key properties of [3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]methanamine?
[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]methanamine has a molecular weight of 235.26 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]methanamine is sourced from PubChem (CID 64759373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).