3-(1-ethoxycyclopentyl)-5-(3-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole

C16H27N3O2 — CID 106983493

IUPAC3-(1-ethoxycyclopentyl)-5-(3-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole
SMILESCCOC1(c2noc(C3(C(C)C)CCNC3)n2)CCCC1
InChIInChI=1S/C16H27N3O2/c1-4-20-16(7-5-6-8-16)13-18-14(21-19-13)15(12(2)3)9-10-17-11-15/h12,17H,4-11H2,1-3H3
InChIKeyRUAVOMCLKSHCTM-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.76
Rot. Bonds5

About 3-(1-ethoxycyclopentyl)-5-(3-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole

3-(1-ethoxycyclopentyl)-5-(3-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole (PubChem CID 106983493) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 3-(1-ethoxycyclopentyl)-5-(3-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1-ethoxycyclopentyl)-5-(3-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole
PubChem CID106983493
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name3-(1-ethoxycyclopentyl)-5-(3-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole
SMILESCCOC1(c2noc(C3(C(C)C)CCNC3)n2)CCCC1
InChIInChI=1S/C16H27N3O2/c1-4-20-16(7-5-6-8-16)13-18-14(21-19-13)15(12(2)3)9-10-17-11-15/h12,17H,4-11H2,1-3H3
InChIKeyRUAVOMCLKSHCTM-UHFFFAOYSA-N
XLogP2.76
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1-ethoxycyclopentyl)-5-(3-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(1-ethoxycyclopentyl)-5-(3-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole (CID 106983493) is 3-(1-ethoxycyclopentyl)-5-(3-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1-ethoxycyclopentyl)-5-(3-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(1-ethoxycyclopentyl)-5-(3-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole is CCOC1(c2noc(C3(C(C)C)CCNC3)n2)CCCC1.
What is the InChIKey of 3-(1-ethoxycyclopentyl)-5-(3-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole?
The InChIKey is RUAVOMCLKSHCTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-4-20-16(7-5-6-8-16)13-18-14(21-19-13)15(12(2)3)9-10-17-11-15/h12,17H,4-11H2,1-3H3.
What are the key properties of 3-(1-ethoxycyclopentyl)-5-(3-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole?
3-(1-ethoxycyclopentyl)-5-(3-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole has a molecular weight of 293.41 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethoxycyclopentyl)-5-(3-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 106983493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).