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

C13H22N2O3 — CID 116781658

IUPAC4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]butan-1-ol
SMILESCCOC1(c2noc(CCCCO)n2)CCCC1
InChIInChI=1S/C13H22N2O3/c1-2-17-13(8-4-5-9-13)12-14-11(18-15-12)7-3-6-10-16/h16H,2-10H2,1H3
InChIKeyVNSHUWXHGCABQG-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.19
Rot. Bonds7

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

4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]butan-1-ol (PubChem CID 116781658) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]butan-1-ol.

Molecular Properties

Compound Name4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]butan-1-ol
PubChem CID116781658
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]butan-1-ol
SMILESCCOC1(c2noc(CCCCO)n2)CCCC1
InChIInChI=1S/C13H22N2O3/c1-2-17-13(8-4-5-9-13)12-14-11(18-15-12)7-3-6-10-16/h16H,2-10H2,1H3
InChIKeyVNSHUWXHGCABQG-UHFFFAOYSA-N
XLogP2.19
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.19
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

4-[3-(1-ethoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-1-ol
CID 116781736
3-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 116781766
3-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-one
CID 116780288
4-[3-(1-ethoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]butanenitrile
CID 106527106
5-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 104609736
4-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 116743201
2-[[3-(1-ethoxycycloheptyl)-1,2,4-oxadiazol-5-yl]methylamino]acetamide
CID 107436752
6-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]hexan-1-amine
CID 116743145
3-amino-3-[3-(1-ethoxycycloheptyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 116743355
1-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-amine
CID 116781245
3-(1-ethoxycyclopentyl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole
CID 116741386
4-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-3-hydroxybutanenitrile
CID 106527668

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]butan-1-ol?
The IUPAC name of 4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]butan-1-ol (CID 116781658) is 4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]butan-1-ol.
What is the SMILES notation for 4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]butan-1-ol?
The canonical SMILES for 4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]butan-1-ol is CCOC1(c2noc(CCCCO)n2)CCCC1.
What is the InChIKey of 4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]butan-1-ol?
The InChIKey is VNSHUWXHGCABQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-2-17-13(8-4-5-9-13)12-14-11(18-15-12)7-3-6-10-16/h16H,2-10H2,1H3.
What are the key properties of 4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]butan-1-ol?
4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]butan-1-ol has a molecular weight of 254.33 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]butan-1-ol is sourced from PubChem (CID 116781658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).