[2-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine

C15H18FN3O — CID 81273503

IUPAC[2-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine
SMILESCc1cc(F)ccc1-c1noc(C2CCCC2CN)n1
InChIInChI=1S/C15H18FN3O/c1-9-7-11(16)5-6-12(9)14-18-15(20-19-14)13-4-2-3-10(13)8-17/h5-7,10,13H,2-4,8,17H2,1H3
InChIKeyAJMIBHTVWSRVRR-UHFFFAOYSA-N
MW275.33 g/mol
LogP3.03
Rot. Bonds3

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

[2-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine (PubChem CID 81273503) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is [2-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine.

Molecular Properties

Compound Name[2-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine
PubChem CID81273503
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC Name[2-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine
SMILESCc1cc(F)ccc1-c1noc(C2CCCC2CN)n1
InChIInChI=1S/C15H18FN3O/c1-9-7-11(16)5-6-12(9)14-18-15(20-19-14)13-4-2-3-10(13)8-17/h5-7,10,13H,2-4,8,17H2,1H3
InChIKeyAJMIBHTVWSRVRR-UHFFFAOYSA-N
XLogP3.03
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine?
The IUPAC name of [2-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine (CID 81273503) is [2-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine.
What is the SMILES notation for [2-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine?
The canonical SMILES for [2-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine is Cc1cc(F)ccc1-c1noc(C2CCCC2CN)n1.
What is the InChIKey of [2-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine?
The InChIKey is AJMIBHTVWSRVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O/c1-9-7-11(16)5-6-12(9)14-18-15(20-19-14)13-4-2-3-10(13)8-17/h5-7,10,13H,2-4,8,17H2,1H3.
What are the key properties of [2-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine?
[2-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine has a molecular weight of 275.33 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine is sourced from PubChem (CID 81273503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).