4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-one

C15H22N2O3 — CID 116780291

IUPAC4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-one
SMILESCCOC1(c2noc(C3CCC(=O)CC3)n2)CCCC1
InChIInChI=1S/C15H22N2O3/c1-2-19-15(9-3-4-10-15)14-16-13(20-17-14)11-5-7-12(18)8-6-11/h11H,2-10H2,1H3
InChIKeyFKNOKAAYKLCUAN-UHFFFAOYSA-N
MW278.35 g/mol
LogP3.10
Rot. Bonds4

About 4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-one

4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-one (PubChem CID 116780291) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-one.

Molecular Properties

Compound Name4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-one
PubChem CID116780291
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-one
SMILESCCOC1(c2noc(C3CCC(=O)CC3)n2)CCCC1
InChIInChI=1S/C15H22N2O3/c1-2-19-15(9-3-4-10-15)14-16-13(20-17-14)11-5-7-12(18)8-6-11/h11H,2-10H2,1H3
InChIKeyFKNOKAAYKLCUAN-UHFFFAOYSA-N
XLogP3.10
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-ethoxycyclopentyl)-5-piperidin-4-yl-1,2,4-oxadiazole
CID 116741504
cis-(1S,3R)-3-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 106323609
3-(1-ethoxycyclopentyl)-5-piperidin-2-yl-1,2,4-oxadiazole
CID 116741549
2-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 116741436
3-(1-ethoxycycloheptyl)-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 104900902
3-(1-ethoxycycloheptyl)-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole
CID 104915192
3-(1-ethoxycyclohexyl)-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole
CID 104915174
2-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile
CID 106527661
3-(1-ethoxycyclopentyl)-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 107071052
3-(1-ethoxy-3-methylcyclohexyl)-5-piperidin-4-yl-1,2,4-oxadiazole
CID 116742913
[5-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]oxolan-2-yl]methanamine
CID 116741356
3-(4-ethoxyoxan-4-yl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104912084

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-one?
The IUPAC name of 4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-one (CID 116780291) is 4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-one.
What is the SMILES notation for 4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-one?
The canonical SMILES for 4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-one is CCOC1(c2noc(C3CCC(=O)CC3)n2)CCCC1.
What is the InChIKey of 4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-one?
The InChIKey is FKNOKAAYKLCUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-2-19-15(9-3-4-10-15)14-16-13(20-17-14)11-5-7-12(18)8-6-11/h11H,2-10H2,1H3.
What are the key properties of 4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-one?
4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-one has a molecular weight of 278.35 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 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]cyclohexan-1-one is sourced from PubChem (CID 116780291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).