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

C12H14FN3O — CID 16767692

IUPAC3-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine
SMILESNCCCc1nc(Cc2ccccc2F)no1
InChIInChI=1S/C12H14FN3O/c13-10-5-2-1-4-9(10)8-11-15-12(17-16-11)6-3-7-14/h1-2,4-5H,3,6-8,14H2
InChIKeyJWUIVXVQZKUNCR-UHFFFAOYSA-N
MW235.26 g/mol
LogP1.69
Rot. Bonds5

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

3-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine (PubChem CID 16767692) has the molecular formula C12H14FN3O and a molecular weight of 235.26 g/mol. Its IUPAC name is 3-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine.

Molecular Properties

Compound Name3-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine
PubChem CID16767692
Molecular FormulaC12H14FN3O
Molecular Weight235.26 g/mol
Exact Mass235.11
IUPAC Name3-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine
SMILESNCCCc1nc(Cc2ccccc2F)no1
InChIInChI=1S/C12H14FN3O/c13-10-5-2-1-4-9(10)8-11-15-12(17-16-11)6-3-7-14/h1-2,4-5H,3,6-8,14H2
InChIKeyJWUIVXVQZKUNCR-UHFFFAOYSA-N
XLogP1.69
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine?
The IUPAC name of 3-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine (CID 16767692) is 3-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine.
What is the SMILES notation for 3-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine?
The canonical SMILES for 3-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine is NCCCc1nc(Cc2ccccc2F)no1.
What is the InChIKey of 3-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine?
The InChIKey is JWUIVXVQZKUNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O/c13-10-5-2-1-4-9(10)8-11-15-12(17-16-11)6-3-7-14/h1-2,4-5H,3,6-8,14H2.
What are the key properties of 3-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine?
3-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine has a molecular weight of 235.26 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine is sourced from PubChem (CID 16767692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).