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

C13H9F2N5O — CID 63260255

IUPAC3-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-amine
SMILESNc1nccnc1-c1nc(Cc2cc(F)cc(F)c2)no1
InChIInChI=1S/C13H9F2N5O/c14-8-3-7(4-9(15)6-8)5-10-19-13(21-20-10)11-12(16)18-2-1-17-11/h1-4,6H,5H2,(H2,16,18)
InChIKeyWHYQPEUHVGTRAI-UHFFFAOYSA-N
MW289.25 g/mol
LogP1.98
Rot. Bonds3

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

3-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-amine (PubChem CID 63260255) has the molecular formula C13H9F2N5O and a molecular weight of 289.25 g/mol. Its IUPAC name is 3-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-amine.

Molecular Properties

Compound Name3-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-amine
PubChem CID63260255
Molecular FormulaC13H9F2N5O
Molecular Weight289.25 g/mol
Exact Mass289.08
IUPAC Name3-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-amine
SMILESNc1nccnc1-c1nc(Cc2cc(F)cc(F)c2)no1
InChIInChI=1S/C13H9F2N5O/c14-8-3-7(4-9(15)6-8)5-10-19-13(21-20-10)11-12(16)18-2-1-17-11/h1-4,6H,5H2,(H2,16,18)
InChIKeyWHYQPEUHVGTRAI-UHFFFAOYSA-N
XLogP1.98
TPSA90.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.25
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]pyrazin-2-amine
CID 55169572
3-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-amine
CID 55169574
2-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 54959365
3-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyrazin-2-amine
CID 65133735
(1S)-2-amino-1-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanol
CID 107836774
5-(1-chloroethyl)-3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazole
CID 54959267
1-amino-1-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 61496533
3-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine
CID 63350013
3-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]pyrazin-2-amine
CID 136984377
2-[3-[(3-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 104742941
3-fluoro-4-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]aniline
CID 107795420
1-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methoxypropan-1-amine
CID 62478079

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-amine?
The IUPAC name of 3-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-amine (CID 63260255) is 3-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-amine.
What is the SMILES notation for 3-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-amine?
The canonical SMILES for 3-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-amine is Nc1nccnc1-c1nc(Cc2cc(F)cc(F)c2)no1.
What is the InChIKey of 3-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-amine?
The InChIKey is WHYQPEUHVGTRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2N5O/c14-8-3-7(4-9(15)6-8)5-10-19-13(21-20-10)11-12(16)18-2-1-17-11/h1-4,6H,5H2,(H2,16,18).
What are the key properties of 3-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-amine?
3-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-amine has a molecular weight of 289.25 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-amine is sourced from PubChem (CID 63260255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).