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

C14H17ClFN3O2 — CID 120850187

IUPAC1-[5-(2-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
SMILESCOc1ccc(-c2nc(C3(N)CCCC3)no2)c(F)c1.Cl
InChIInChI=1S/C14H16FN3O2.ClH/c1-19-9-4-5-10(11(15)8-9)12-17-13(18-20-12)14(16)6-2-3-7-14;/h4-5,8H,2-3,6-7,16H2,1H3;1H
InChIKeyVGGCYQLLWKRITM-UHFFFAOYSA-N
MW313.76 g/mol
LogP3.03
Rot. Bonds3

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

1-[5-(2-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride (PubChem CID 120850187) has the molecular formula C14H17ClFN3O2 and a molecular weight of 313.76 g/mol. Its IUPAC name is 1-[5-(2-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-[5-(2-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
PubChem CID120850187
Molecular FormulaC14H17ClFN3O2
Molecular Weight313.76 g/mol
Exact Mass313.10
IUPAC Name1-[5-(2-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
SMILESCOc1ccc(-c2nc(C3(N)CCCC3)no2)c(F)c1.Cl
InChIInChI=1S/C14H16FN3O2.ClH/c1-19-9-4-5-10(11(15)8-9)12-17-13(18-20-12)14(16)6-2-3-7-14;/h4-5,8H,2-3,6-7,16H2,1H3;1H
InChIKeyVGGCYQLLWKRITM-UHFFFAOYSA-N
XLogP3.03
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.76
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
The IUPAC name of 1-[5-(2-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride (CID 120850187) is 1-[5-(2-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride.
What is the SMILES notation for 1-[5-(2-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
The canonical SMILES for 1-[5-(2-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride is COc1ccc(-c2nc(C3(N)CCCC3)no2)c(F)c1.Cl.
What is the InChIKey of 1-[5-(2-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
The InChIKey is VGGCYQLLWKRITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2.ClH/c1-19-9-4-5-10(11(15)8-9)12-17-13(18-20-12)14(16)6-2-3-7-14;/h4-5,8H,2-3,6-7,16H2,1H3;1H.
What are the key properties of 1-[5-(2-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
1-[5-(2-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride has a molecular weight of 313.76 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride is sourced from PubChem (CID 120850187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).