5-tert-butyl-3-pyrazin-2-yl-1,2,4-oxadiazole

C10H12N4O — CID 59019222

IUPAC5-tert-butyl-3-pyrazin-2-yl-1,2,4-oxadiazole
SMILESCC(C)(C)c1nc(-c2cnccn2)no1
InChIInChI=1S/C10H12N4O/c1-10(2,3)9-13-8(14-15-9)7-6-11-4-5-12-7/h4-6H,1-3H3
InChIKeyIWCRSAASOVTPIS-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.82
Rot. Bonds1

About 5-tert-butyl-3-pyrazin-2-yl-1,2,4-oxadiazole

5-tert-butyl-3-pyrazin-2-yl-1,2,4-oxadiazole (PubChem CID 59019222) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 5-tert-butyl-3-pyrazin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-tert-butyl-3-pyrazin-2-yl-1,2,4-oxadiazole
PubChem CID59019222
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name5-tert-butyl-3-pyrazin-2-yl-1,2,4-oxadiazole
SMILESCC(C)(C)c1nc(-c2cnccn2)no1
InChIInChI=1S/C10H12N4O/c1-10(2,3)9-13-8(14-15-9)7-6-11-4-5-12-7/h4-6H,1-3H3
InChIKeyIWCRSAASOVTPIS-UHFFFAOYSA-N
XLogP1.82
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

1-(1-isobutylpiperidin-4-yl)-N-methyl-N-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 16190396
N-(5-(5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl)pyrazin-2-yl)acetamide
CID 71576962
2-(3-Pyrazin-2-yl-1,2,4-oxadiazol-5-yl)ethanohydrazide
CID 2779273
{[3-(Pyrazin-2-yl)-1,2,4-oxadiazol-5-yl]sulfanyl}methyl 2,2-dimethylpropanoate
CID 467058
3-Methyl-5-[1-[4-[(5-methylpyrazin-2-yl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 53555311
3-Ethyl-5-[1-[4-[(5-methylpyrazin-2-yl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 53613895
5-[1-[4-[(5-Methylpyrazin-2-yl)methyl]piperazin-1-yl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 53613896
1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-N-[(5-methylpyrazin-2-yl)methyl]piperidin-3-amine
CID 56803218
N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-3-yl]acetamide
CID 71928311
N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-3-amine
CID 72122896
3-[1-[(5-Methylpyrazin-2-yl)methyl]pyrrolidin-2-yl]-5-propan-2-yl-1,2,4-oxadiazole
CID 72149368
5-Ethyl-3-[1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 72149421

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-pyrazin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-tert-butyl-3-pyrazin-2-yl-1,2,4-oxadiazole (CID 59019222) is 5-tert-butyl-3-pyrazin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-tert-butyl-3-pyrazin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-tert-butyl-3-pyrazin-2-yl-1,2,4-oxadiazole is CC(C)(C)c1nc(-c2cnccn2)no1.
What is the InChIKey of 5-tert-butyl-3-pyrazin-2-yl-1,2,4-oxadiazole?
The InChIKey is IWCRSAASOVTPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-10(2,3)9-13-8(14-15-9)7-6-11-4-5-12-7/h4-6H,1-3H3.
What are the key properties of 5-tert-butyl-3-pyrazin-2-yl-1,2,4-oxadiazole?
5-tert-butyl-3-pyrazin-2-yl-1,2,4-oxadiazole has a molecular weight of 204.23 g/mol, XLogP of 1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-pyrazin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 59019222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).