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

C10H18N2O3 — CID 64534643

IUPAC4-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
SMILESCCOC(C)c1noc(CCC(C)O)n1
InChIInChI=1S/C10H18N2O3/c1-4-14-8(3)10-11-9(15-12-10)6-5-7(2)13/h7-8,13H,4-6H2,1-3H3
InChIKeyOGHVAWPDSFCWAD-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.48
Rot. Bonds6

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

4-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol (PubChem CID 64534643) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 4-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol.

Molecular Properties

Compound Name4-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
PubChem CID64534643
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name4-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
SMILESCCOC(C)c1noc(CCC(C)O)n1
InChIInChI=1S/C10H18N2O3/c1-4-14-8(3)10-11-9(15-12-10)6-5-7(2)13/h7-8,13H,4-6H2,1-3H3
InChIKeyOGHVAWPDSFCWAD-UHFFFAOYSA-N
XLogP1.48
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 79200735
2-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine
CID 64539003
3-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 64540032
1-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 64538990
N-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 64539019
(3S)-1-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-ol
CID 111434623
3-(1-ethoxyethyl)-5-[[4-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole
CID 166210681
1-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-amine
CID 64533639
3-[(1R)-1-ethoxyethyl]-5-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazole
CID 95770468
4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 116799790
(1R)-1-[3-[[3-[(1S)-1-ethoxyethyl]-1,2,4-oxadiazol-5-yl]methoxy]phenyl]ethanol
CID 97029342
1-[4-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-2-methylpropan-2-ol
CID 111434599

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol?
The IUPAC name of 4-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol (CID 64534643) is 4-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol.
What is the SMILES notation for 4-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol?
The canonical SMILES for 4-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol is CCOC(C)c1noc(CCC(C)O)n1.
What is the InChIKey of 4-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol?
The InChIKey is OGHVAWPDSFCWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-4-14-8(3)10-11-9(15-12-10)6-5-7(2)13/h7-8,13H,4-6H2,1-3H3.
What are the key properties of 4-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol?
4-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol has a molecular weight of 214.26 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol is sourced from PubChem (CID 64534643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).