1-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine

C14H16FN3O — CID 62389084

IUPAC1-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
SMILESCc1ccc(F)cc1-c1noc(C2(N)CCCC2)n1
InChIInChI=1S/C14H16FN3O/c1-9-4-5-10(15)8-11(9)12-17-13(19-18-12)14(16)6-2-3-7-14/h4-5,8H,2-3,6-7,16H2,1H3
InChIKeyYOIOOQMWYKXYIQ-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.91
Rot. Bonds2

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

1-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine (PubChem CID 62389084) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is 1-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
PubChem CID62389084
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC Name1-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
SMILESCc1ccc(F)cc1-c1noc(C2(N)CCCC2)n1
InChIInChI=1S/C14H16FN3O/c1-9-4-5-10(15)8-11(9)12-17-13(19-18-12)14(16)6-2-3-7-14/h4-5,8H,2-3,6-7,16H2,1H3
InChIKeyYOIOOQMWYKXYIQ-UHFFFAOYSA-N
XLogP2.91
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine?
The IUPAC name of 1-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine (CID 62389084) is 1-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine.
What is the SMILES notation for 1-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine?
The canonical SMILES for 1-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine is Cc1ccc(F)cc1-c1noc(C2(N)CCCC2)n1.
What is the InChIKey of 1-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine?
The InChIKey is YOIOOQMWYKXYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c1-9-4-5-10(15)8-11(9)12-17-13(19-18-12)14(16)6-2-3-7-14/h4-5,8H,2-3,6-7,16H2,1H3.
What are the key properties of 1-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine?
1-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine has a molecular weight of 261.30 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine is sourced from PubChem (CID 62389084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).