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

C12H16N4O — CID 121199865

IUPAC3-(1-ethylpyrrol-2-yl)-5-pyrrolidin-3-yl-1,2,4-oxadiazole
SMILESCCn1cccc1-c1noc(C2CCNC2)n1
InChIInChI=1S/C12H16N4O/c1-2-16-7-3-4-10(16)11-14-12(17-15-11)9-5-6-13-8-9/h3-4,7,9,13H,2,5-6,8H2,1H3
InChIKeyJSGVLECPUITPCA-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.63
Rot. Bonds3

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

3-(1-ethylpyrrol-2-yl)-5-pyrrolidin-3-yl-1,2,4-oxadiazole (PubChem CID 121199865) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 3-(1-ethylpyrrol-2-yl)-5-pyrrolidin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1-ethylpyrrol-2-yl)-5-pyrrolidin-3-yl-1,2,4-oxadiazole
PubChem CID121199865
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name3-(1-ethylpyrrol-2-yl)-5-pyrrolidin-3-yl-1,2,4-oxadiazole
SMILESCCn1cccc1-c1noc(C2CCNC2)n1
InChIInChI=1S/C12H16N4O/c1-2-16-7-3-4-10(16)11-14-12(17-15-11)9-5-6-13-8-9/h3-4,7,9,13H,2,5-6,8H2,1H3
InChIKeyJSGVLECPUITPCA-UHFFFAOYSA-N
XLogP1.63
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-fluorophenyl)-5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 94917759
3-(4-methoxyphenyl)-5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 120838044
3-pyridin-3-yl-5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 94917646
5-[(3R)-pyrrolidin-3-yl]-3-(4-undecylphenyl)-1,2,4-oxadiazole
CID 154661001
3-(4-decylphenyl)-5-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 155012950
5-(chloromethyl)-3-(1-ethylpyrrol-2-yl)-1,2,4-oxadiazole
CID 91811897
3-(3-methoxyphenyl)-5-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 63032530
N-ethyl-N-methyl-5-pyrrolidin-3-yl-1,2,4-oxadiazol-3-amine
CID 116808345
3-(4-ethylphenyl)-5-piperidin-3-yl-1,2,4-oxadiazole
CID 43627411
3-(4-methylsulfonylphenyl)-5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 120841276
3-(3-methoxyphenyl)-5-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole;hydrochloride
CID 120841699
3-(3,4-difluorophenyl)-5-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 94917701

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethylpyrrol-2-yl)-5-pyrrolidin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 3-(1-ethylpyrrol-2-yl)-5-pyrrolidin-3-yl-1,2,4-oxadiazole (CID 121199865) is 3-(1-ethylpyrrol-2-yl)-5-pyrrolidin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1-ethylpyrrol-2-yl)-5-pyrrolidin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-(1-ethylpyrrol-2-yl)-5-pyrrolidin-3-yl-1,2,4-oxadiazole is CCn1cccc1-c1noc(C2CCNC2)n1.
What is the InChIKey of 3-(1-ethylpyrrol-2-yl)-5-pyrrolidin-3-yl-1,2,4-oxadiazole?
The InChIKey is JSGVLECPUITPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-2-16-7-3-4-10(16)11-14-12(17-15-11)9-5-6-13-8-9/h3-4,7,9,13H,2,5-6,8H2,1H3.
What are the key properties of 3-(1-ethylpyrrol-2-yl)-5-pyrrolidin-3-yl-1,2,4-oxadiazole?
3-(1-ethylpyrrol-2-yl)-5-pyrrolidin-3-yl-1,2,4-oxadiazole has a molecular weight of 232.29 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethylpyrrol-2-yl)-5-pyrrolidin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 121199865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).