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

C13H15F2N3O — CID 79803472

IUPAC3-[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
SMILESCCC(N)(CC)c1nc(-c2cc(F)cc(F)c2)no1
InChIInChI=1S/C13H15F2N3O/c1-3-13(16,4-2)12-17-11(18-19-12)8-5-9(14)7-10(15)6-8/h5-7H,3-4,16H2,1-2H3
InChIKeyYJCLRXYUCLAIMA-UHFFFAOYSA-N
MW267.28 g/mol
LogP2.99
Rot. Bonds4

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

3-[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine (PubChem CID 79803472) has the molecular formula C13H15F2N3O and a molecular weight of 267.28 g/mol. Its IUPAC name is 3-[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine.

Molecular Properties

Compound Name3-[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
PubChem CID79803472
Molecular FormulaC13H15F2N3O
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name3-[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
SMILESCCC(N)(CC)c1nc(-c2cc(F)cc(F)c2)no1
InChIInChI=1S/C13H15F2N3O/c1-3-13(16,4-2)12-17-11(18-19-12)8-5-9(14)7-10(15)6-8/h5-7H,3-4,16H2,1-2H3
InChIKeyYJCLRXYUCLAIMA-UHFFFAOYSA-N
XLogP2.99
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(4-bromo-3,5-dimethylphenyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 114329402
3-(3-phenyl-1,2,4-oxadiazol-5-yl)pentan-3-amine
CID 79804455
2-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-ethylbutan-1-amine
CID 115430625
3-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 79804546
2-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 79798934
3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-amine
CID 62470899
3-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 115565665
2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 61267112
1,1,1-trifluoro-2-[3-(3,4,5-trifluorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 79791086
3-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 79803721
3-(3,5-difluorophenyl)-N-methyl-1,2,4-oxadiazol-5-amine
CID 62595025
ethyl 2-[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]propanoate
CID 79474278

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine?
The IUPAC name of 3-[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine (CID 79803472) is 3-[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine.
What is the SMILES notation for 3-[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine?
The canonical SMILES for 3-[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine is CCC(N)(CC)c1nc(-c2cc(F)cc(F)c2)no1.
What is the InChIKey of 3-[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine?
The InChIKey is YJCLRXYUCLAIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3O/c1-3-13(16,4-2)12-17-11(18-19-12)8-5-9(14)7-10(15)6-8/h5-7H,3-4,16H2,1-2H3.
What are the key properties of 3-[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine?
3-[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine has a molecular weight of 267.28 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine is sourced from PubChem (CID 79803472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).