[3-(1-ethoxybutyl)-1,2,4-oxadiazol-5-yl]methanol

C9H16N2O3 — CID 116732822

IUPAC[3-(1-ethoxybutyl)-1,2,4-oxadiazol-5-yl]methanol
SMILESCCCC(OCC)c1noc(CO)n1
InChIInChI=1S/C9H16N2O3/c1-3-5-7(13-4-2)9-10-8(6-12)14-11-9/h7,12H,3-6H2,1-2H3
InChIKeyMBZSTABGBYUPOG-UHFFFAOYSA-N
MW200.24 g/mol
LogP1.44
Rot. Bonds6

About [3-(1-ethoxybutyl)-1,2,4-oxadiazol-5-yl]methanol

[3-(1-ethoxybutyl)-1,2,4-oxadiazol-5-yl]methanol (PubChem CID 116732822) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is [3-(1-ethoxybutyl)-1,2,4-oxadiazol-5-yl]methanol.

Molecular Properties

Compound Name[3-(1-ethoxybutyl)-1,2,4-oxadiazol-5-yl]methanol
PubChem CID116732822
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name[3-(1-ethoxybutyl)-1,2,4-oxadiazol-5-yl]methanol
SMILESCCCC(OCC)c1noc(CO)n1
InChIInChI=1S/C9H16N2O3/c1-3-5-7(13-4-2)9-10-8(6-12)14-11-9/h7,12H,3-6H2,1-2H3
InChIKeyMBZSTABGBYUPOG-UHFFFAOYSA-N
XLogP1.44
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[3-(1-ethoxybutyl)-1,2,4-oxadiazol-5-yl]methyl]butan-1-amine
CID 116702297
2-[3-(1-ethoxybutyl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine
CID 116702358
1-[3-(1-ethoxybutyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
CID 116733200
(1S)-1-[3-(1-ethoxybutyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 107565568
3-(1-ethoxybutyl)-N-ethyl-1,2,4-oxadiazol-5-amine
CID 116730902
N-[[3-(1-ethoxybutyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methylaniline
CID 116702383
(1S,2S)-1-[3-(1-ethoxybutyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 104900344
(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanol
CID 25219499
3-[3-(1-ethoxybutyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluorobutan-2-one
CID 116732568
6-[3-(1-ethoxybutyl)-1,2,4-oxadiazol-5-yl]heptan-2-amine
CID 116702190
4-[3-(1-ethoxybutyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 136904268
4-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]butan-2-one
CID 116732531

Frequently Asked Questions

What is the IUPAC name of [3-(1-ethoxybutyl)-1,2,4-oxadiazol-5-yl]methanol?
The IUPAC name of [3-(1-ethoxybutyl)-1,2,4-oxadiazol-5-yl]methanol (CID 116732822) is [3-(1-ethoxybutyl)-1,2,4-oxadiazol-5-yl]methanol.
What is the SMILES notation for [3-(1-ethoxybutyl)-1,2,4-oxadiazol-5-yl]methanol?
The canonical SMILES for [3-(1-ethoxybutyl)-1,2,4-oxadiazol-5-yl]methanol is CCCC(OCC)c1noc(CO)n1.
What is the InChIKey of [3-(1-ethoxybutyl)-1,2,4-oxadiazol-5-yl]methanol?
The InChIKey is MBZSTABGBYUPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-3-5-7(13-4-2)9-10-8(6-12)14-11-9/h7,12H,3-6H2,1-2H3.
What are the key properties of [3-(1-ethoxybutyl)-1,2,4-oxadiazol-5-yl]methanol?
[3-(1-ethoxybutyl)-1,2,4-oxadiazol-5-yl]methanol has a molecular weight of 200.24 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-ethoxybutyl)-1,2,4-oxadiazol-5-yl]methanol is sourced from PubChem (CID 116732822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).