[4-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)oxan-4-yl]methanamine

C12H15N5O2 — CID 115440117

IUPAC[4-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)oxan-4-yl]methanamine
SMILESNCC1(c2nc(-c3cnccn3)no2)CCOCC1
InChIInChI=1S/C12H15N5O2/c13-8-12(1-5-18-6-2-12)11-16-10(17-19-11)9-7-14-3-4-15-9/h3-4,7H,1-2,5-6,8,13H2
InChIKeyWXXDCCFGILKCRT-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.53
Rot. Bonds3

About [4-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)oxan-4-yl]methanamine

[4-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)oxan-4-yl]methanamine (PubChem CID 115440117) has the molecular formula C12H15N5O2 and a molecular weight of 261.28 g/mol. Its IUPAC name is [4-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)oxan-4-yl]methanamine.

Molecular Properties

Compound Name[4-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)oxan-4-yl]methanamine
PubChem CID115440117
Molecular FormulaC12H15N5O2
Molecular Weight261.28 g/mol
Exact Mass261.12
IUPAC Name[4-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)oxan-4-yl]methanamine
SMILESNCC1(c2nc(-c3cnccn3)no2)CCOCC1
InChIInChI=1S/C12H15N5O2/c13-8-12(1-5-18-6-2-12)11-16-10(17-19-11)9-7-14-3-4-15-9/h3-4,7H,1-2,5-6,8,13H2
InChIKeyWXXDCCFGILKCRT-UHFFFAOYSA-N
XLogP0.53
TPSA99.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine
CID 115440150
[4-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine
CID 115440184
[4-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine
CID 82732096
[4-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine
CID 106847445
[4-[3-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine
CID 115440192
[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]methanamine
CID 115436480
[4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine
CID 115440111
5-(1-phenylcyclobutyl)-3-pyrazin-2-yl-1,2,4-oxadiazole
CID 71859061
[4-[3-[4-(benzimidazol-1-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine;hydrochloride
CID 120955770
3-pyrazin-2-yl-5-(4-pyrazol-1-ylpiperidin-4-yl)-1,2,4-oxadiazole;hydrochloride
CID 120955874
[1-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclobutyl]methanamine
CID 115446160
[1-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)cyclobutyl]methanamine
CID 115446099

Frequently Asked Questions

What is the IUPAC name of [4-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)oxan-4-yl]methanamine?
The IUPAC name of [4-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)oxan-4-yl]methanamine (CID 115440117) is [4-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)oxan-4-yl]methanamine.
What is the SMILES notation for [4-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)oxan-4-yl]methanamine?
The canonical SMILES for [4-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)oxan-4-yl]methanamine is NCC1(c2nc(-c3cnccn3)no2)CCOCC1.
What is the InChIKey of [4-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)oxan-4-yl]methanamine?
The InChIKey is WXXDCCFGILKCRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c13-8-12(1-5-18-6-2-12)11-16-10(17-19-11)9-7-14-3-4-15-9/h3-4,7H,1-2,5-6,8,13H2.
What are the key properties of [4-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)oxan-4-yl]methanamine?
[4-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)oxan-4-yl]methanamine has a molecular weight of 261.28 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)oxan-4-yl]methanamine is sourced from PubChem (CID 115440117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).