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

C13H16N2O3 — CID 136983312

IUPAC4-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESCCCC(OC)c1noc(-c2ccc(O)cc2)n1
InChIInChI=1S/C13H16N2O3/c1-3-4-11(17-2)12-14-13(18-15-12)9-5-7-10(16)8-6-9/h5-8,11,16H,3-4H2,1-2H3
InChIKeyQTAIQWRSVDVDNE-UHFFFAOYSA-N
MW248.28 g/mol
LogP2.93
Rot. Bonds5

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

4-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 136983312) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 4-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name4-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]phenol
PubChem CID136983312
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name4-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESCCCC(OC)c1noc(-c2ccc(O)cc2)n1
InChIInChI=1S/C13H16N2O3/c1-3-4-11(17-2)12-14-13(18-15-12)9-5-7-10(16)8-6-9/h5-8,11,16H,3-4H2,1-2H3
InChIKeyQTAIQWRSVDVDNE-UHFFFAOYSA-N
XLogP2.93
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-5-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]phenol
CID 116702518
2-[4-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]anilino]ethanol
CID 116702620
2-chloro-5-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]aniline
CID 116702452
2-bromo-5-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]aniline
CID 107813831
5-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diamine
CID 107811752
3-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]benzoic acid
CID 116704839
4-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol
CID 136751285
4-[3-(1-ethoxybutyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 136904268
3-(1-methoxybutyl)-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole
CID 154760139
5-chloro-2-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]aniline
CID 116702480
2-[2-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]phenyl]acetonitrile
CID 106527278
1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]butan-1-ol
CID 113443207

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 4-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]phenol (CID 136983312) is 4-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 4-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 4-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]phenol is CCCC(OC)c1noc(-c2ccc(O)cc2)n1.
What is the InChIKey of 4-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is QTAIQWRSVDVDNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-3-4-11(17-2)12-14-13(18-15-12)9-5-7-10(16)8-6-9/h5-8,11,16H,3-4H2,1-2H3.
What are the key properties of 4-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]phenol?
4-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]phenol has a molecular weight of 248.28 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 136983312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).