[1-[3-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine

C15H17ClFN3O — CID 115433753

IUPAC[1-[3-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine
SMILESNCC1(c2nc(Cc3ccc(F)cc3Cl)no2)CCCC1
InChIInChI=1S/C15H17ClFN3O/c16-12-8-11(17)4-3-10(12)7-13-19-14(21-20-13)15(9-18)5-1-2-6-15/h3-4,8H,1-2,5-7,9,18H2
InChIKeyLDPSRJCWASQNCT-UHFFFAOYSA-N
MW309.77 g/mol
LogP3.22
Rot. Bonds4

About [1-[3-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine

[1-[3-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine (PubChem CID 115433753) has the molecular formula C15H17ClFN3O and a molecular weight of 309.77 g/mol. Its IUPAC name is [1-[3-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-[3-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine
PubChem CID115433753
Molecular FormulaC15H17ClFN3O
Molecular Weight309.77 g/mol
Exact Mass309.10
IUPAC Name[1-[3-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine
SMILESNCC1(c2nc(Cc3ccc(F)cc3Cl)no2)CCCC1
InChIInChI=1S/C15H17ClFN3O/c16-12-8-11(17)4-3-10(12)7-13-19-14(21-20-13)15(9-18)5-1-2-6-15/h3-4,8H,1-2,5-7,9,18H2
InChIKeyLDPSRJCWASQNCT-UHFFFAOYSA-N
XLogP3.22
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.77
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[3-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine?
The IUPAC name of [1-[3-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine (CID 115433753) is [1-[3-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine.
What is the SMILES notation for [1-[3-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine?
The canonical SMILES for [1-[3-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine is NCC1(c2nc(Cc3ccc(F)cc3Cl)no2)CCCC1.
What is the InChIKey of [1-[3-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine?
The InChIKey is LDPSRJCWASQNCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFN3O/c16-12-8-11(17)4-3-10(12)7-13-19-14(21-20-13)15(9-18)5-1-2-6-15/h3-4,8H,1-2,5-7,9,18H2.
What are the key properties of [1-[3-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine?
[1-[3-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine has a molecular weight of 309.77 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine is sourced from PubChem (CID 115433753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).