2-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclopentan-1-amine

C14H15ClFN3O — CID 63350172

IUPAC2-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclopentan-1-amine
SMILESCNC1CCCC1c1nc(-c2ccc(F)cc2Cl)no1
InChIInChI=1S/C14H15ClFN3O/c1-17-12-4-2-3-10(12)14-18-13(19-20-14)9-6-5-8(16)7-11(9)15/h5-7,10,12,17H,2-4H2,1H3
InChIKeyHZMOFQVXRVKTHA-UHFFFAOYSA-N
MW295.75 g/mol
LogP3.38
Rot. Bonds3

About 2-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclopentan-1-amine

2-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclopentan-1-amine (PubChem CID 63350172) has the molecular formula C14H15ClFN3O and a molecular weight of 295.75 g/mol. Its IUPAC name is 2-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclopentan-1-amine.

Molecular Properties

Compound Name2-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclopentan-1-amine
PubChem CID63350172
Molecular FormulaC14H15ClFN3O
Molecular Weight295.75 g/mol
Exact Mass295.09
IUPAC Name2-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclopentan-1-amine
SMILESCNC1CCCC1c1nc(-c2ccc(F)cc2Cl)no1
InChIInChI=1S/C14H15ClFN3O/c1-17-12-4-2-3-10(12)14-18-13(19-20-14)9-6-5-8(16)7-11(9)15/h5-7,10,12,17H,2-4H2,1H3
InChIKeyHZMOFQVXRVKTHA-UHFFFAOYSA-N
XLogP3.38
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.75
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclopentan-1-amine?
The IUPAC name of 2-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclopentan-1-amine (CID 63350172) is 2-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclopentan-1-amine.
What is the SMILES notation for 2-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclopentan-1-amine?
The canonical SMILES for 2-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclopentan-1-amine is CNC1CCCC1c1nc(-c2ccc(F)cc2Cl)no1.
What is the InChIKey of 2-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclopentan-1-amine?
The InChIKey is HZMOFQVXRVKTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFN3O/c1-17-12-4-2-3-10(12)14-18-13(19-20-14)9-6-5-8(16)7-11(9)15/h5-7,10,12,17H,2-4H2,1H3.
What are the key properties of 2-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclopentan-1-amine?
2-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclopentan-1-amine has a molecular weight of 295.75 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclopentan-1-amine is sourced from PubChem (CID 63350172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).