3-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)oxan-4-amine

C11H13N5O2 — CID 106474360

IUPAC3-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)oxan-4-amine
SMILESNC1CCOCC1c1nc(-c2cnccn2)no1
InChIInChI=1S/C11H13N5O2/c12-8-1-4-17-6-7(8)11-15-10(16-18-11)9-5-13-2-3-14-9/h2-3,5,7-8H,1,4,6,12H2
InChIKeyHFZYYANFQQSVFG-UHFFFAOYSA-N
MW247.26 g/mol
LogP0.36
Rot. Bonds2

About 3-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)oxan-4-amine

3-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)oxan-4-amine (PubChem CID 106474360) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is 3-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)oxan-4-amine.

Molecular Properties

Compound Name3-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)oxan-4-amine
PubChem CID106474360
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC Name3-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)oxan-4-amine
SMILESNC1CCOCC1c1nc(-c2cnccn2)no1
InChIInChI=1S/C11H13N5O2/c12-8-1-4-17-6-7(8)11-15-10(16-18-11)9-5-13-2-3-14-9/h2-3,5,7-8H,1,4,6,12H2
InChIKeyHFZYYANFQQSVFG-UHFFFAOYSA-N
XLogP0.36
TPSA99.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[3-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine
CID 106474675
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine
CID 106474272
5-[(1R,2R)-2-methylcyclopropyl]-3-pyrazin-2-yl-1,2,4-oxadiazole
CID 97014363
5-piperidin-4-yl-3-pyrazin-2-yl-1,2,4-oxadiazole;hydrochloride
CID 119948500
3-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)oxan-4-amine
CID 106474611
5-(4-methylpyrrolidin-3-yl)-3-pyrazin-2-yl-1,2,4-oxadiazole
CID 55228804
4-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)oxolan-3-amine
CID 113329133
3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine
CID 106474338
4-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 66240288
3-[3-(4-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine
CID 106819970
3-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]oxan-4-ol
CID 106474196
3-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]oxan-4-ol
CID 106474168

Frequently Asked Questions

What is the IUPAC name of 3-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)oxan-4-amine?
The IUPAC name of 3-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)oxan-4-amine (CID 106474360) is 3-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)oxan-4-amine.
What is the SMILES notation for 3-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)oxan-4-amine?
The canonical SMILES for 3-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)oxan-4-amine is NC1CCOCC1c1nc(-c2cnccn2)no1.
What is the InChIKey of 3-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)oxan-4-amine?
The InChIKey is HFZYYANFQQSVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2/c12-8-1-4-17-6-7(8)11-15-10(16-18-11)9-5-13-2-3-14-9/h2-3,5,7-8H,1,4,6,12H2.
What are the key properties of 3-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)oxan-4-amine?
3-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)oxan-4-amine has a molecular weight of 247.26 g/mol, XLogP of 0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)oxan-4-amine is sourced from PubChem (CID 106474360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).