3-[cyclohexyl(methoxy)methyl]-5-(2-pyrrolidin-3-ylethyl)-1,2,4-oxadiazole

C16H27N3O2 — CID 116743400

IUPAC3-[cyclohexyl(methoxy)methyl]-5-(2-pyrrolidin-3-ylethyl)-1,2,4-oxadiazole
SMILESCOC(c1noc(CCC2CCNC2)n1)C1CCCCC1
InChIInChI=1S/C16H27N3O2/c1-20-15(13-5-3-2-4-6-13)16-18-14(21-19-16)8-7-12-9-10-17-11-12/h12-13,15,17H,2-11H2,1H3
InChIKeyUQKAQJVMNPAUAB-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.88
Rot. Bonds6

About 3-[cyclohexyl(methoxy)methyl]-5-(2-pyrrolidin-3-ylethyl)-1,2,4-oxadiazole

3-[cyclohexyl(methoxy)methyl]-5-(2-pyrrolidin-3-ylethyl)-1,2,4-oxadiazole (PubChem CID 116743400) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 3-[cyclohexyl(methoxy)methyl]-5-(2-pyrrolidin-3-ylethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[cyclohexyl(methoxy)methyl]-5-(2-pyrrolidin-3-ylethyl)-1,2,4-oxadiazole
PubChem CID116743400
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name3-[cyclohexyl(methoxy)methyl]-5-(2-pyrrolidin-3-ylethyl)-1,2,4-oxadiazole
SMILESCOC(c1noc(CCC2CCNC2)n1)C1CCCCC1
InChIInChI=1S/C16H27N3O2/c1-20-15(13-5-3-2-4-6-13)16-18-14(21-19-16)8-7-12-9-10-17-11-12/h12-13,15,17H,2-11H2,1H3
InChIKeyUQKAQJVMNPAUAB-UHFFFAOYSA-N
XLogP2.88
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[cyclopropyl(methoxy)methyl]-5-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
CID 116703367
2-[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-N-methylethanamine
CID 116743511
3-(2-methoxypropyl)-5-(2-pyrrolidin-3-ylethyl)-1,2,4-oxadiazole
CID 113391100
3-[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-N-methylpropan-1-amine
CID 116743468
5-(2-piperidin-4-ylethyl)-3-propan-2-yl-1,2,4-oxadiazole
CID 62216698
5-(2-chloroethyl)-3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazole
CID 116701127
3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-amine
CID 116743450
3-(3-methoxypentan-3-yl)-5-(2-pyrrolidin-3-ylethyl)-1,2,4-oxadiazole
CID 116741082
4-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-2-methylbutan-2-amine
CID 116703444
3-[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-2-methylpropanenitrile
CID 106527287
N-[[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine
CID 116743473
ethyl 5-(2-pyrrolidin-3-ylethyl)-1,2,4-oxadiazole-3-carboxylate
CID 112631496

Frequently Asked Questions

What is the IUPAC name of 3-[cyclohexyl(methoxy)methyl]-5-(2-pyrrolidin-3-ylethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-[cyclohexyl(methoxy)methyl]-5-(2-pyrrolidin-3-ylethyl)-1,2,4-oxadiazole (CID 116743400) is 3-[cyclohexyl(methoxy)methyl]-5-(2-pyrrolidin-3-ylethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[cyclohexyl(methoxy)methyl]-5-(2-pyrrolidin-3-ylethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[cyclohexyl(methoxy)methyl]-5-(2-pyrrolidin-3-ylethyl)-1,2,4-oxadiazole is COC(c1noc(CCC2CCNC2)n1)C1CCCCC1.
What is the InChIKey of 3-[cyclohexyl(methoxy)methyl]-5-(2-pyrrolidin-3-ylethyl)-1,2,4-oxadiazole?
The InChIKey is UQKAQJVMNPAUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-20-15(13-5-3-2-4-6-13)16-18-14(21-19-16)8-7-12-9-10-17-11-12/h12-13,15,17H,2-11H2,1H3.
What are the key properties of 3-[cyclohexyl(methoxy)methyl]-5-(2-pyrrolidin-3-ylethyl)-1,2,4-oxadiazole?
3-[cyclohexyl(methoxy)methyl]-5-(2-pyrrolidin-3-ylethyl)-1,2,4-oxadiazole has a molecular weight of 293.41 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclohexyl(methoxy)methyl]-5-(2-pyrrolidin-3-ylethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 116743400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).