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

C13H13F2N3O — CID 82624848

IUPAC2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
SMILESNC1CCCC1c1nc(-c2ccc(F)cc2F)no1
InChIInChI=1S/C13H13F2N3O/c14-7-4-5-8(10(15)6-7)12-17-13(19-18-12)9-2-1-3-11(9)16/h4-6,9,11H,1-3,16H2
InChIKeyNWWWLGMYLQKDMV-UHFFFAOYSA-N
MW265.26 g/mol
LogP2.61
Rot. Bonds2

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

2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine (PubChem CID 82624848) has the molecular formula C13H13F2N3O and a molecular weight of 265.26 g/mol. Its IUPAC name is 2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine.

Molecular Properties

Compound Name2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
PubChem CID82624848
Molecular FormulaC13H13F2N3O
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Name2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
SMILESNC1CCCC1c1nc(-c2ccc(F)cc2F)no1
InChIInChI=1S/C13H13F2N3O/c14-7-4-5-8(10(15)6-7)12-17-13(19-18-12)9-2-1-3-11(9)16/h4-6,9,11H,1-3,16H2
InChIKeyNWWWLGMYLQKDMV-UHFFFAOYSA-N
XLogP2.61
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine
CID 81273503
2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 79719199
2-[3-(2-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 107915071
2-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 81282222
2-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclopentan-1-amine
CID 63350172
2-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 63350428
4-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine
CID 83201416
3-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 81273281
3-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 107280013
2-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethylcyclopentan-1-amine
CID 107282911
cyclopentyl-[(2S)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
CID 95057646
trans-(1R,2R)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclopentan-1-amine
CID 96803162

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine?
The IUPAC name of 2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine (CID 82624848) is 2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine.
What is the SMILES notation for 2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine?
The canonical SMILES for 2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine is NC1CCCC1c1nc(-c2ccc(F)cc2F)no1.
What is the InChIKey of 2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine?
The InChIKey is NWWWLGMYLQKDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3O/c14-7-4-5-8(10(15)6-7)12-17-13(19-18-12)9-2-1-3-11(9)16/h4-6,9,11H,1-3,16H2.
What are the key properties of 2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine?
2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine has a molecular weight of 265.26 g/mol, XLogP of 2.61, 2 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)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine is sourced from PubChem (CID 82624848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).