1-(5-quinoxalin-6-yl-1,2,4-oxadiazol-3-yl)butan-1-ol

C14H14N4O2 — CID 103096497

IUPAC1-(5-quinoxalin-6-yl-1,2,4-oxadiazol-3-yl)butan-1-ol
SMILESCCCC(O)c1noc(-c2ccc3nccnc3c2)n1
InChIInChI=1S/C14H14N4O2/c1-2-3-12(19)13-17-14(20-18-13)9-4-5-10-11(8-9)16-7-6-15-10/h4-8,12,19H,2-3H2,1H3
InChIKeyCUEQQLSQWMIGJY-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.51
Rot. Bonds4

About 1-(5-quinoxalin-6-yl-1,2,4-oxadiazol-3-yl)butan-1-ol

1-(5-quinoxalin-6-yl-1,2,4-oxadiazol-3-yl)butan-1-ol (PubChem CID 103096497) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 1-(5-quinoxalin-6-yl-1,2,4-oxadiazol-3-yl)butan-1-ol.

Molecular Properties

Compound Name1-(5-quinoxalin-6-yl-1,2,4-oxadiazol-3-yl)butan-1-ol
PubChem CID103096497
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name1-(5-quinoxalin-6-yl-1,2,4-oxadiazol-3-yl)butan-1-ol
SMILESCCCC(O)c1noc(-c2ccc3nccnc3c2)n1
InChIInChI=1S/C14H14N4O2/c1-2-3-12(19)13-17-14(20-18-13)9-4-5-10-11(8-9)16-7-6-15-10/h4-8,12,19H,2-3H2,1H3
InChIKeyCUEQQLSQWMIGJY-UHFFFAOYSA-N
XLogP2.51
TPSA84.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(5-quinoxalin-6-yl-1,2,4-oxadiazol-3-yl)butan-1-ol?
The IUPAC name of 1-(5-quinoxalin-6-yl-1,2,4-oxadiazol-3-yl)butan-1-ol (CID 103096497) is 1-(5-quinoxalin-6-yl-1,2,4-oxadiazol-3-yl)butan-1-ol.
What is the SMILES notation for 1-(5-quinoxalin-6-yl-1,2,4-oxadiazol-3-yl)butan-1-ol?
The canonical SMILES for 1-(5-quinoxalin-6-yl-1,2,4-oxadiazol-3-yl)butan-1-ol is CCCC(O)c1noc(-c2ccc3nccnc3c2)n1.
What is the InChIKey of 1-(5-quinoxalin-6-yl-1,2,4-oxadiazol-3-yl)butan-1-ol?
The InChIKey is CUEQQLSQWMIGJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-2-3-12(19)13-17-14(20-18-13)9-4-5-10-11(8-9)16-7-6-15-10/h4-8,12,19H,2-3H2,1H3.
What are the key properties of 1-(5-quinoxalin-6-yl-1,2,4-oxadiazol-3-yl)butan-1-ol?
1-(5-quinoxalin-6-yl-1,2,4-oxadiazol-3-yl)butan-1-ol has a molecular weight of 270.29 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-quinoxalin-6-yl-1,2,4-oxadiazol-3-yl)butan-1-ol is sourced from PubChem (CID 103096497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).