3-[5-(1,3-dioxolan-2-yl)furan-2-yl]-5-(1-ethoxycyclopentyl)-1,2,4-oxadiazole

C16H20N2O5 — CID 126826089

IUPAC3-[5-(1,3-dioxolan-2-yl)furan-2-yl]-5-(1-ethoxycyclopentyl)-1,2,4-oxadiazole
SMILESCCOC1(c2nc(-c3ccc(C4OCCO4)o3)no2)CCCC1
InChIInChI=1S/C16H20N2O5/c1-2-21-16(7-3-4-8-16)15-17-13(18-23-15)11-5-6-12(22-11)14-19-9-10-20-14/h5-6,14H,2-4,7-10H2,1H3
InChIKeyAZMBTYALMKLVEV-UHFFFAOYSA-N
MW320.35 g/mol
LogP3.18
Rot. Bonds5

About 3-[5-(1,3-dioxolan-2-yl)furan-2-yl]-5-(1-ethoxycyclopentyl)-1,2,4-oxadiazole

3-[5-(1,3-dioxolan-2-yl)furan-2-yl]-5-(1-ethoxycyclopentyl)-1,2,4-oxadiazole (PubChem CID 126826089) has the molecular formula C16H20N2O5 and a molecular weight of 320.35 g/mol. Its IUPAC name is 3-[5-(1,3-dioxolan-2-yl)furan-2-yl]-5-(1-ethoxycyclopentyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[5-(1,3-dioxolan-2-yl)furan-2-yl]-5-(1-ethoxycyclopentyl)-1,2,4-oxadiazole
PubChem CID126826089
Molecular FormulaC16H20N2O5
Molecular Weight320.35 g/mol
Exact Mass320.14
IUPAC Name3-[5-(1,3-dioxolan-2-yl)furan-2-yl]-5-(1-ethoxycyclopentyl)-1,2,4-oxadiazole
SMILESCCOC1(c2nc(-c3ccc(C4OCCO4)o3)no2)CCCC1
InChIInChI=1S/C16H20N2O5/c1-2-21-16(7-3-4-8-16)15-17-13(18-23-15)11-5-6-12(22-11)14-19-9-10-20-14/h5-6,14H,2-4,7-10H2,1H3
InChIKeyAZMBTYALMKLVEV-UHFFFAOYSA-N
XLogP3.18
TPSA79.75 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[5-(1,3-dioxolan-2-yl)furan-2-yl]-5-(1-ethoxycyclopentyl)-1,2,4-oxadiazole with MolForge

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Related Compounds

3-[2-(difluoromethoxy)phenyl]-5-(1-ethoxycyclopentyl)-1,2,4-oxadiazole
CID 126805804
3-(3-bromo-4-pyridinyl)-5-(1-ethoxycyclopentyl)-1,2,4-oxadiazole
CID 126834218
3-(1-ethoxycyclopentyl)-5-piperidin-2-yl-1,2,4-oxadiazole
CID 116741549
3-(1-ethoxycycloheptyl)-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole
CID 104915192
3-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 116741976
3-(1-ethoxycyclohexyl)-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole
CID 104915174
3-(1-ethoxycyclopentyl)-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 116741484
3-[(2R)-1,4-diazabicyclo[2.2.2]octan-2-yl]-5-(1-ethoxycyclopentyl)-1,2,4-oxadiazole
CID 129345137
5-(1-methoxycyclobutyl)-3-(5-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole
CID 139012825
4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-one
CID 116780291
3-(1-ethoxycyclopentyl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 116741448
2-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 116741436

Frequently Asked Questions

What is the IUPAC name of 3-[5-(1,3-dioxolan-2-yl)furan-2-yl]-5-(1-ethoxycyclopentyl)-1,2,4-oxadiazole?
The IUPAC name of 3-[5-(1,3-dioxolan-2-yl)furan-2-yl]-5-(1-ethoxycyclopentyl)-1,2,4-oxadiazole (CID 126826089) is 3-[5-(1,3-dioxolan-2-yl)furan-2-yl]-5-(1-ethoxycyclopentyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[5-(1,3-dioxolan-2-yl)furan-2-yl]-5-(1-ethoxycyclopentyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[5-(1,3-dioxolan-2-yl)furan-2-yl]-5-(1-ethoxycyclopentyl)-1,2,4-oxadiazole is CCOC1(c2nc(-c3ccc(C4OCCO4)o3)no2)CCCC1.
What is the InChIKey of 3-[5-(1,3-dioxolan-2-yl)furan-2-yl]-5-(1-ethoxycyclopentyl)-1,2,4-oxadiazole?
The InChIKey is AZMBTYALMKLVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O5/c1-2-21-16(7-3-4-8-16)15-17-13(18-23-15)11-5-6-12(22-11)14-19-9-10-20-14/h5-6,14H,2-4,7-10H2,1H3.
What are the key properties of 3-[5-(1,3-dioxolan-2-yl)furan-2-yl]-5-(1-ethoxycyclopentyl)-1,2,4-oxadiazole?
3-[5-(1,3-dioxolan-2-yl)furan-2-yl]-5-(1-ethoxycyclopentyl)-1,2,4-oxadiazole has a molecular weight of 320.35 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(1,3-dioxolan-2-yl)furan-2-yl]-5-(1-ethoxycyclopentyl)-1,2,4-oxadiazole is sourced from PubChem (CID 126826089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).