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

C14H14N4O2 — CID 79192298

IUPAC4-(3-quinoxalin-6-yl-1,2,4-oxadiazol-5-yl)butan-1-ol
SMILESOCCCCc1nc(-c2ccc3nccnc3c2)no1
InChIInChI=1S/C14H14N4O2/c19-8-2-1-3-13-17-14(18-20-13)10-4-5-11-12(9-10)16-7-6-15-11/h4-7,9,19H,1-3,8H2
InChIKeyRFRXVKLLYOVBEV-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.99
Rot. Bonds5

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

4-(3-quinoxalin-6-yl-1,2,4-oxadiazol-5-yl)butan-1-ol (PubChem CID 79192298) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 4-(3-quinoxalin-6-yl-1,2,4-oxadiazol-5-yl)butan-1-ol.

Molecular Properties

Compound Name4-(3-quinoxalin-6-yl-1,2,4-oxadiazol-5-yl)butan-1-ol
PubChem CID79192298
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name4-(3-quinoxalin-6-yl-1,2,4-oxadiazol-5-yl)butan-1-ol
SMILESOCCCCc1nc(-c2ccc3nccnc3c2)no1
InChIInChI=1S/C14H14N4O2/c19-8-2-1-3-13-17-14(18-20-13)10-4-5-11-12(9-10)16-7-6-15-11/h4-7,9,19H,1-3,8H2
InChIKeyRFRXVKLLYOVBEV-UHFFFAOYSA-N
XLogP1.99
TPSA84.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butan-1-ol
CID 79191177
4-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]butan-1-ol
CID 79191685
3-[3-(3-aminophenyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 79201009
4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-ol
CID 79193177
4-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-ol
CID 79191349
(1S)-2-methyl-1-(3-quinoxalin-6-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 104901617
[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl quinoxaline-6-carboxylate
CID 17478413
(1S)-3-methyl-1-(3-quinoxalin-6-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 104881165
3-(3-chloro-4-fluorophenyl)-5-(3-chloropropyl)-1,2,4-oxadiazole
CID 63092416
[4-[5-(5-phenylpentyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol
CID 90091839
5-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)pentan-1-amine
CID 62717251
3-(3,4-dimethoxyphenyl)-5-heptyl-1,2,4-oxadiazole
CID 19658114

Frequently Asked Questions

What is the IUPAC name of 4-(3-quinoxalin-6-yl-1,2,4-oxadiazol-5-yl)butan-1-ol?
The IUPAC name of 4-(3-quinoxalin-6-yl-1,2,4-oxadiazol-5-yl)butan-1-ol (CID 79192298) is 4-(3-quinoxalin-6-yl-1,2,4-oxadiazol-5-yl)butan-1-ol.
What is the SMILES notation for 4-(3-quinoxalin-6-yl-1,2,4-oxadiazol-5-yl)butan-1-ol?
The canonical SMILES for 4-(3-quinoxalin-6-yl-1,2,4-oxadiazol-5-yl)butan-1-ol is OCCCCc1nc(-c2ccc3nccnc3c2)no1.
What is the InChIKey of 4-(3-quinoxalin-6-yl-1,2,4-oxadiazol-5-yl)butan-1-ol?
The InChIKey is RFRXVKLLYOVBEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c19-8-2-1-3-13-17-14(18-20-13)10-4-5-11-12(9-10)16-7-6-15-11/h4-7,9,19H,1-3,8H2.
What are the key properties of 4-(3-quinoxalin-6-yl-1,2,4-oxadiazol-5-yl)butan-1-ol?
4-(3-quinoxalin-6-yl-1,2,4-oxadiazol-5-yl)butan-1-ol has a molecular weight of 270.29 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-quinoxalin-6-yl-1,2,4-oxadiazol-5-yl)butan-1-ol is sourced from PubChem (CID 79192298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).