5-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol

C11H13N3O3 — CID 106815773

IUPAC5-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol
SMILESCCOCCc1noc(-c2cncc(O)c2)n1
InChIInChI=1S/C11H13N3O3/c1-2-16-4-3-10-13-11(17-14-10)8-5-9(15)7-12-6-8/h5-7,15H,2-4H2,1H3
InChIKeyPRWCINXXAWLTCJ-UHFFFAOYSA-N
MW235.24 g/mol
LogP1.42
Rot. Bonds5

About 5-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol

5-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol (PubChem CID 106815773) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 5-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol.

Molecular Properties

Compound Name5-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol
PubChem CID106815773
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name5-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol
SMILESCCOCCc1noc(-c2cncc(O)c2)n1
InChIInChI=1S/C11H13N3O3/c1-2-16-4-3-10-13-11(17-14-10)8-5-9(15)7-12-6-8/h5-7,15H,2-4H2,1H3
InChIKeyPRWCINXXAWLTCJ-UHFFFAOYSA-N
XLogP1.42
TPSA81.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 51.42
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

5-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol
CID 63845583
4-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 136904336
4-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methoxyphenol
CID 136745795
5-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 107707049
5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol
CID 63844535
5-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 107707056
2-[4-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 106814604
5-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol
CID 115534543
5-[3-[(4-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-3-ol
CID 66143046
5-[3-[(2-bromophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-3-ol
CID 66145476
5-(2,3-dihydro-1H-indol-5-yl)-3-(2-ethoxyethyl)-1,2,4-oxadiazole
CID 106814581
5-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 107706952

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol?
The IUPAC name of 5-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol (CID 106815773) is 5-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol.
What is the SMILES notation for 5-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol?
The canonical SMILES for 5-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol is CCOCCc1noc(-c2cncc(O)c2)n1.
What is the InChIKey of 5-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol?
The InChIKey is PRWCINXXAWLTCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c1-2-16-4-3-10-13-11(17-14-10)8-5-9(15)7-12-6-8/h5-7,15H,2-4H2,1H3.
What are the key properties of 5-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol?
5-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol has a molecular weight of 235.24 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol is sourced from PubChem (CID 106815773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).