3-ethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrrolidine-3-carboxamide

C11H18N4O2 — CID 114183577

IUPAC3-ethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrrolidine-3-carboxamide
SMILESCCC1(C(=O)NCCc2ncno2)CCNC1
InChIInChI=1S/C11H18N4O2/c1-2-11(4-6-12-7-11)10(16)13-5-3-9-14-8-15-17-9/h8,12H,2-7H2,1H3,(H,13,16)
InChIKeyFNZWBNPUWTZRQS-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.12
Rot. Bonds5

About 3-ethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrrolidine-3-carboxamide

3-ethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrrolidine-3-carboxamide (PubChem CID 114183577) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-ethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrrolidine-3-carboxamide
PubChem CID114183577
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name3-ethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrrolidine-3-carboxamide
SMILESCCC1(C(=O)NCCc2ncno2)CCNC1
InChIInChI=1S/C11H18N4O2/c1-2-11(4-6-12-7-11)10(16)13-5-3-9-14-8-15-17-9/h8,12H,2-7H2,1H3,(H,13,16)
InChIKeyFNZWBNPUWTZRQS-UHFFFAOYSA-N
XLogP0.12
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-4-propylpiperidine-4-carboxamide
CID 106397484
3-ethyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]piperidine-3-carboxamide
CID 106397914
3-ethyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrrolidine-3-carboxamide
CID 64531930
3-ethyl-N-[2-(furan-2-yl)ethyl]piperidine-3-carboxamide
CID 63130359
1-cyano-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]cyclohexane-1-carboxamide
CID 113253187
N-[2-(cyclopenten-1-yl)ethyl]-3-ethylpyrrolidine-3-carboxamide
CID 114154046
3-ethyl-N-[2-(4-fluorophenyl)ethyl]piperidine-3-carboxamide
CID 63132469
3-ethyl-N-octylpyrrolidine-3-carboxamide
CID 115567862
4-carbamothioyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]oxane-4-carboxamide
CID 106399302
methyl 3-[(3-ethylpyrrolidine-3-carbonyl)amino]propanoate
CID 63141454
N-(4-amino-4-oxobutyl)-3-ethylpyrrolidine-3-carboxamide
CID 63139989
3-ethyl-N-(2-ethylsulfinylethyl)pyrrolidine-3-carboxamide
CID 115750111

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrrolidine-3-carboxamide?
The IUPAC name of 3-ethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrrolidine-3-carboxamide (CID 114183577) is 3-ethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 3-ethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 3-ethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrrolidine-3-carboxamide is CCC1(C(=O)NCCc2ncno2)CCNC1.
What is the InChIKey of 3-ethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrrolidine-3-carboxamide?
The InChIKey is FNZWBNPUWTZRQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-2-11(4-6-12-7-11)10(16)13-5-3-9-14-8-15-17-9/h8,12H,2-7H2,1H3,(H,13,16).
What are the key properties of 3-ethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrrolidine-3-carboxamide?
3-ethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrrolidine-3-carboxamide has a molecular weight of 238.29 g/mol, XLogP of 0.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 114183577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).