3-(1-ethoxycyclohexyl)-5-(3-ethylpyrrolidin-3-yl)-1,2,4-oxadiazole

C16H27N3O2 — CID 116741864

IUPAC3-(1-ethoxycyclohexyl)-5-(3-ethylpyrrolidin-3-yl)-1,2,4-oxadiazole
SMILESCCOC1(c2noc(C3(CC)CCNC3)n2)CCCCC1
InChIInChI=1S/C16H27N3O2/c1-3-15(10-11-17-12-15)14-18-13(19-21-14)16(20-4-2)8-6-5-7-9-16/h17H,3-12H2,1-2H3
InChIKeyNUYYEINUGHNNAW-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.91
Rot. Bonds5

About 3-(1-ethoxycyclohexyl)-5-(3-ethylpyrrolidin-3-yl)-1,2,4-oxadiazole

3-(1-ethoxycyclohexyl)-5-(3-ethylpyrrolidin-3-yl)-1,2,4-oxadiazole (PubChem CID 116741864) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 3-(1-ethoxycyclohexyl)-5-(3-ethylpyrrolidin-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1-ethoxycyclohexyl)-5-(3-ethylpyrrolidin-3-yl)-1,2,4-oxadiazole
PubChem CID116741864
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name3-(1-ethoxycyclohexyl)-5-(3-ethylpyrrolidin-3-yl)-1,2,4-oxadiazole
SMILESCCOC1(c2noc(C3(CC)CCNC3)n2)CCCCC1
InChIInChI=1S/C16H27N3O2/c1-3-15(10-11-17-12-15)14-18-13(19-21-14)16(20-4-2)8-6-5-7-9-16/h17H,3-12H2,1-2H3
InChIKeyNUYYEINUGHNNAW-UHFFFAOYSA-N
XLogP2.91
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 ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1-ethoxycyclohexyl)-5-(3-ethylpyrrolidin-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(1-ethoxycyclohexyl)-5-(3-ethylpyrrolidin-3-yl)-1,2,4-oxadiazole (CID 116741864) is 3-(1-ethoxycyclohexyl)-5-(3-ethylpyrrolidin-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1-ethoxycyclohexyl)-5-(3-ethylpyrrolidin-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(1-ethoxycyclohexyl)-5-(3-ethylpyrrolidin-3-yl)-1,2,4-oxadiazole is CCOC1(c2noc(C3(CC)CCNC3)n2)CCCCC1.
What is the InChIKey of 3-(1-ethoxycyclohexyl)-5-(3-ethylpyrrolidin-3-yl)-1,2,4-oxadiazole?
The InChIKey is NUYYEINUGHNNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-3-15(10-11-17-12-15)14-18-13(19-21-14)16(20-4-2)8-6-5-7-9-16/h17H,3-12H2,1-2H3.
What are the key properties of 3-(1-ethoxycyclohexyl)-5-(3-ethylpyrrolidin-3-yl)-1,2,4-oxadiazole?
3-(1-ethoxycyclohexyl)-5-(3-ethylpyrrolidin-3-yl)-1,2,4-oxadiazole has a molecular weight of 293.41 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethoxycyclohexyl)-5-(3-ethylpyrrolidin-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 116741864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).