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

C14H16FN3O2 — CID 82626475

IUPAC2-[3-(3-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
SMILESCOc1c(F)cccc1-c1noc(C2CCCC2N)n1
InChIInChI=1S/C14H16FN3O2/c1-19-12-9(5-2-6-10(12)15)13-17-14(20-18-13)8-4-3-7-11(8)16/h2,5-6,8,11H,3-4,7,16H2,1H3
InChIKeyPWVYRBXTMNMJAQ-UHFFFAOYSA-N
MW277.30 g/mol
LogP2.48
Rot. Bonds3

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

2-[3-(3-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine (PubChem CID 82626475) has the molecular formula C14H16FN3O2 and a molecular weight of 277.30 g/mol. Its IUPAC name is 2-[3-(3-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine.

Molecular Properties

Compound Name2-[3-(3-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
PubChem CID82626475
Molecular FormulaC14H16FN3O2
Molecular Weight277.30 g/mol
Exact Mass277.12
IUPAC Name2-[3-(3-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
SMILESCOc1c(F)cccc1-c1noc(C2CCCC2N)n1
InChIInChI=1S/C14H16FN3O2/c1-19-12-9(5-2-6-10(12)15)13-17-14(20-18-13)8-4-3-7-11(8)16/h2,5-6,8,11H,3-4,7,16H2,1H3
InChIKeyPWVYRBXTMNMJAQ-UHFFFAOYSA-N
XLogP2.48
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine?
The IUPAC name of 2-[3-(3-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine (CID 82626475) is 2-[3-(3-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine.
What is the SMILES notation for 2-[3-(3-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine?
The canonical SMILES for 2-[3-(3-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine is COc1c(F)cccc1-c1noc(C2CCCC2N)n1.
What is the InChIKey of 2-[3-(3-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine?
The InChIKey is PWVYRBXTMNMJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2/c1-19-12-9(5-2-6-10(12)15)13-17-14(20-18-13)8-4-3-7-11(8)16/h2,5-6,8,11H,3-4,7,16H2,1H3.
What are the key properties of 2-[3-(3-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine?
2-[3-(3-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine has a molecular weight of 277.30 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine is sourced from PubChem (CID 82626475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).