3-(3-methoxypentan-3-yl)-5-(2-pyrrolidin-3-ylethyl)-1,2,4-oxadiazole

C14H25N3O2 — CID 116741082

IUPAC3-(3-methoxypentan-3-yl)-5-(2-pyrrolidin-3-ylethyl)-1,2,4-oxadiazole
SMILESCCC(CC)(OC)c1noc(CCC2CCNC2)n1
InChIInChI=1S/C14H25N3O2/c1-4-14(5-2,18-3)13-16-12(19-17-13)7-6-11-8-9-15-10-11/h11,15H,4-10H2,1-3H3
InChIKeyKWRGEHKFBVCJLW-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.27
Rot. Bonds7

About 3-(3-methoxypentan-3-yl)-5-(2-pyrrolidin-3-ylethyl)-1,2,4-oxadiazole

3-(3-methoxypentan-3-yl)-5-(2-pyrrolidin-3-ylethyl)-1,2,4-oxadiazole (PubChem CID 116741082) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 3-(3-methoxypentan-3-yl)-5-(2-pyrrolidin-3-ylethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-methoxypentan-3-yl)-5-(2-pyrrolidin-3-ylethyl)-1,2,4-oxadiazole
PubChem CID116741082
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name3-(3-methoxypentan-3-yl)-5-(2-pyrrolidin-3-ylethyl)-1,2,4-oxadiazole
SMILESCCC(CC)(OC)c1noc(CCC2CCNC2)n1
InChIInChI=1S/C14H25N3O2/c1-4-14(5-2,18-3)13-16-12(19-17-13)7-6-11-8-9-15-10-11/h11,15H,4-10H2,1-3H3
InChIKeyKWRGEHKFBVCJLW-UHFFFAOYSA-N
XLogP2.27
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-methoxypropyl)-5-(2-pyrrolidin-3-ylethyl)-1,2,4-oxadiazole
CID 113391100
3-(3-methoxypentan-3-yl)-5-piperidin-3-yl-1,2,4-oxadiazole
CID 116741192
ethyl 5-(2-pyrrolidin-3-ylethyl)-1,2,4-oxadiazole-3-carboxylate
CID 112631496
3-[cyclohexyl(methoxy)methyl]-5-(2-pyrrolidin-3-ylethyl)-1,2,4-oxadiazole
CID 116743400
5-(2-piperidin-4-ylethyl)-3-propan-2-yl-1,2,4-oxadiazole
CID 62216698
5-(2-pyrrolidin-3-ylethyl)-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole
CID 104880611
3-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]propanoic acid
CID 116744032
5-propyl-3-(2-pyrrolidin-3-ylethoxymethyl)-1,2,4-oxadiazole
CID 114796047
3-(3-ethyl-2-pyridinyl)-5-(2-pyrrolidin-3-ylethyl)-1,2,4-oxadiazole
CID 82737296
5-(2-piperidin-3-ylethyl)-1,2,4-oxadiazol-3-amine
CID 65419210
3-(2-methoxybutan-2-yl)-5-(2-piperidin-2-ylethyl)-1,2,4-oxadiazole
CID 116740295
N,N-diethyl-2-[5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 62216530

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxypentan-3-yl)-5-(2-pyrrolidin-3-ylethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(3-methoxypentan-3-yl)-5-(2-pyrrolidin-3-ylethyl)-1,2,4-oxadiazole (CID 116741082) is 3-(3-methoxypentan-3-yl)-5-(2-pyrrolidin-3-ylethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-methoxypentan-3-yl)-5-(2-pyrrolidin-3-ylethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-methoxypentan-3-yl)-5-(2-pyrrolidin-3-ylethyl)-1,2,4-oxadiazole is CCC(CC)(OC)c1noc(CCC2CCNC2)n1.
What is the InChIKey of 3-(3-methoxypentan-3-yl)-5-(2-pyrrolidin-3-ylethyl)-1,2,4-oxadiazole?
The InChIKey is KWRGEHKFBVCJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-4-14(5-2,18-3)13-16-12(19-17-13)7-6-11-8-9-15-10-11/h11,15H,4-10H2,1-3H3.
What are the key properties of 3-(3-methoxypentan-3-yl)-5-(2-pyrrolidin-3-ylethyl)-1,2,4-oxadiazole?
3-(3-methoxypentan-3-yl)-5-(2-pyrrolidin-3-ylethyl)-1,2,4-oxadiazole has a molecular weight of 267.37 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxypentan-3-yl)-5-(2-pyrrolidin-3-ylethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 116741082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).