2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)pentan-3-ol

C11H14N4O2 — CID 55221009

IUPAC2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)pentan-3-ol
SMILESCCC(O)C(C)c1nc(-c2cnccn2)no1
InChIInChI=1S/C11H14N4O2/c1-3-9(16)7(2)11-14-10(15-17-11)8-6-12-4-5-13-8/h4-7,9,16H,3H2,1-2H3
InChIKeyPWPKECXJHOFSAI-UHFFFAOYSA-N
MW234.26 g/mol
LogP1.40
Rot. Bonds4

About 2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)pentan-3-ol

2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)pentan-3-ol (PubChem CID 55221009) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)pentan-3-ol.

Molecular Properties

Compound Name2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)pentan-3-ol
PubChem CID55221009
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)pentan-3-ol
SMILESCCC(O)C(C)c1nc(-c2cnccn2)no1
InChIInChI=1S/C11H14N4O2/c1-3-9(16)7(2)11-14-10(15-17-11)8-6-12-4-5-13-8/h4-7,9,16H,3H2,1-2H3
InChIKeyPWPKECXJHOFSAI-UHFFFAOYSA-N
XLogP1.40
TPSA84.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(1-bromopropyl)-3-pyrazin-2-yl-1,2,4-oxadiazole
CID 62854732
(1S,2S)-2-methyl-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 103832881
1-amino-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)propan-2-ol
CID 43807265
1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol
CID 63345918
(1R)-2-methyl-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 93298235
ethyl 2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)propanoate
CID 79474428
N-ethyl-2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 62851367
2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]pentan-3-ol
CID 55220902
3,3-dimethyl-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol
CID 63345917
2-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]pentan-3-ol
CID 113453475
2-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-3-ol
CID 81282139
2-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-3-ol
CID 55221114

Frequently Asked Questions

What is the IUPAC name of 2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)pentan-3-ol?
The IUPAC name of 2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)pentan-3-ol (CID 55221009) is 2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)pentan-3-ol.
What is the SMILES notation for 2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)pentan-3-ol?
The canonical SMILES for 2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)pentan-3-ol is CCC(O)C(C)c1nc(-c2cnccn2)no1.
What is the InChIKey of 2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)pentan-3-ol?
The InChIKey is PWPKECXJHOFSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-3-9(16)7(2)11-14-10(15-17-11)8-6-12-4-5-13-8/h4-7,9,16H,3H2,1-2H3.
What are the key properties of 2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)pentan-3-ol?
2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)pentan-3-ol has a molecular weight of 234.26 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)pentan-3-ol is sourced from PubChem (CID 55221009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).