2-[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine

C15H17F2N3O — CID 82763990

IUPAC2-[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine
SMILESCC1(c2nc(Cc3ccc(F)cc3F)no2)CCCC1N
InChIInChI=1S/C15H17F2N3O/c1-15(6-2-3-12(15)18)14-19-13(20-21-14)7-9-4-5-10(16)8-11(9)17/h4-5,8,12H,2-3,6-7,18H2,1H3
InChIKeyURHZGSQPJHMZQE-UHFFFAOYSA-N
MW293.32 g/mol
LogP2.71
Rot. Bonds3

About 2-[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine

2-[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine (PubChem CID 82763990) has the molecular formula C15H17F2N3O and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine.

Molecular Properties

Compound Name2-[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine
PubChem CID82763990
Molecular FormulaC15H17F2N3O
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name2-[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine
SMILESCC1(c2nc(Cc3ccc(F)cc3F)no2)CCCC1N
InChIInChI=1S/C15H17F2N3O/c1-15(6-2-3-12(15)18)14-19-13(20-21-14)7-9-4-5-10(16)8-11(9)17/h4-5,8,12H,2-3,6-7,18H2,1H3
InChIKeyURHZGSQPJHMZQE-UHFFFAOYSA-N
XLogP2.71
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine?
The IUPAC name of 2-[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine (CID 82763990) is 2-[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine.
What is the SMILES notation for 2-[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine?
The canonical SMILES for 2-[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine is CC1(c2nc(Cc3ccc(F)cc3F)no2)CCCC1N.
What is the InChIKey of 2-[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine?
The InChIKey is URHZGSQPJHMZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3O/c1-15(6-2-3-12(15)18)14-19-13(20-21-14)7-9-4-5-10(16)8-11(9)17/h4-5,8,12H,2-3,6-7,18H2,1H3.
What are the key properties of 2-[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine?
2-[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine has a molecular weight of 293.32 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine is sourced from PubChem (CID 82763990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).