3-[5-(3-ethoxypropyl)-1,2,4-oxadiazol-3-yl]phenol

C13H16N2O3 — CID 78953778

IUPAC3-[5-(3-ethoxypropyl)-1,2,4-oxadiazol-3-yl]phenol
SMILESCCOCCCc1nc(-c2cccc(O)c2)no1
InChIInChI=1S/C13H16N2O3/c1-2-17-8-4-7-12-14-13(15-18-12)10-5-3-6-11(16)9-10/h3,5-6,9,16H,2,4,7-8H2,1H3
InChIKeyFXGYMOXQISLVEG-UHFFFAOYSA-N
MW248.28 g/mol
LogP2.41
Rot. Bonds6

About 3-[5-(3-ethoxypropyl)-1,2,4-oxadiazol-3-yl]phenol

3-[5-(3-ethoxypropyl)-1,2,4-oxadiazol-3-yl]phenol (PubChem CID 78953778) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 3-[5-(3-ethoxypropyl)-1,2,4-oxadiazol-3-yl]phenol.

Molecular Properties

Compound Name3-[5-(3-ethoxypropyl)-1,2,4-oxadiazol-3-yl]phenol
PubChem CID78953778
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name3-[5-(3-ethoxypropyl)-1,2,4-oxadiazol-3-yl]phenol
SMILESCCOCCCc1nc(-c2cccc(O)c2)no1
InChIInChI=1S/C13H16N2O3/c1-2-17-8-4-7-12-14-13(15-18-12)10-5-3-6-11(16)9-10/h3,5-6,9,16H,2,4,7-8H2,1H3
InChIKeyFXGYMOXQISLVEG-UHFFFAOYSA-N
XLogP2.41
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[5-(2-aminoethoxymethyl)-1,2,4-oxadiazol-3-yl]phenol
CID 103822428
methyl 3-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]propanoate
CID 22343201
3-[5-[2-(4-methylphenyl)ethyl]-1,2,4-oxadiazol-3-yl]phenol
CID 62503643
1-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-(3-ethoxypropyl)-3-ethylguanidine
CID 111588015
3-[5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazol-3-yl]phenol
CID 107921225
2-[[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 107922223
N-(3-ethoxypropyl)-3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propanamide
CID 100756276
3-[5-(3-amino-2-hydroxy-2-methylpropyl)-1,2,4-oxadiazol-3-yl]phenol
CID 107921209
3-[[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-methylpentanenitrile
CID 107922321
3-[5-(anilinomethyl)-1,2,4-oxadiazol-3-yl]phenol
CID 103832480
3-[5-[(4-hydroxyanilino)methyl]-1,2,4-oxadiazol-3-yl]phenol
CID 107921255
3-[3-(3-aminophenyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 79201009

Frequently Asked Questions

What is the IUPAC name of 3-[5-(3-ethoxypropyl)-1,2,4-oxadiazol-3-yl]phenol?
The IUPAC name of 3-[5-(3-ethoxypropyl)-1,2,4-oxadiazol-3-yl]phenol (CID 78953778) is 3-[5-(3-ethoxypropyl)-1,2,4-oxadiazol-3-yl]phenol.
What is the SMILES notation for 3-[5-(3-ethoxypropyl)-1,2,4-oxadiazol-3-yl]phenol?
The canonical SMILES for 3-[5-(3-ethoxypropyl)-1,2,4-oxadiazol-3-yl]phenol is CCOCCCc1nc(-c2cccc(O)c2)no1.
What is the InChIKey of 3-[5-(3-ethoxypropyl)-1,2,4-oxadiazol-3-yl]phenol?
The InChIKey is FXGYMOXQISLVEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-2-17-8-4-7-12-14-13(15-18-12)10-5-3-6-11(16)9-10/h3,5-6,9,16H,2,4,7-8H2,1H3.
What are the key properties of 3-[5-(3-ethoxypropyl)-1,2,4-oxadiazol-3-yl]phenol?
3-[5-(3-ethoxypropyl)-1,2,4-oxadiazol-3-yl]phenol has a molecular weight of 248.28 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3-ethoxypropyl)-1,2,4-oxadiazol-3-yl]phenol is sourced from PubChem (CID 78953778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).