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

C15H18FN3O — CID 115433724

IUPAC[1-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine
SMILESNCC1(c2nc(Cc3cccc(F)c3)no2)CCCC1
InChIInChI=1S/C15H18FN3O/c16-12-5-3-4-11(8-12)9-13-18-14(20-19-13)15(10-17)6-1-2-7-15/h3-5,8H,1-2,6-7,9-10,17H2
InChIKeyLTQWRZWVFUJXQA-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.57
Rot. Bonds4

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

[1-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine (PubChem CID 115433724) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is [1-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine
PubChem CID115433724
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC Name[1-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine
SMILESNCC1(c2nc(Cc3cccc(F)c3)no2)CCCC1
InChIInChI=1S/C15H18FN3O/c16-12-5-3-4-11(8-12)9-13-18-14(20-19-13)15(10-17)6-1-2-7-15/h3-5,8H,1-2,6-7,9-10,17H2
InChIKeyLTQWRZWVFUJXQA-UHFFFAOYSA-N
XLogP2.57
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine?
The IUPAC name of [1-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine (CID 115433724) is [1-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine.
What is the SMILES notation for [1-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine?
The canonical SMILES for [1-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine is NCC1(c2nc(Cc3cccc(F)c3)no2)CCCC1.
What is the InChIKey of [1-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine?
The InChIKey is LTQWRZWVFUJXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O/c16-12-5-3-4-11(8-12)9-13-18-14(20-19-13)15(10-17)6-1-2-7-15/h3-5,8H,1-2,6-7,9-10,17H2.
What are the key properties of [1-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine?
[1-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine has a molecular weight of 275.33 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine is sourced from PubChem (CID 115433724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).