2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-1-pyrrolidin-1-ylethanone

C10H16N4O2 — CID 106400784

IUPAC2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-1-pyrrolidin-1-ylethanone
SMILESO=C(CNCCc1ncon1)N1CCCC1
InChIInChI=1S/C10H16N4O2/c15-10(14-5-1-2-6-14)7-11-4-3-9-12-8-16-13-9/h8,11H,1-7H2
InChIKeyYMKSWGRFBIZUTL-UHFFFAOYSA-N
MW224.26 g/mol
LogP-0.18
Rot. Bonds5

About 2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-1-pyrrolidin-1-ylethanone

2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-1-pyrrolidin-1-ylethanone (PubChem CID 106400784) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-1-pyrrolidin-1-ylethanone
PubChem CID106400784
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-1-pyrrolidin-1-ylethanone
SMILESO=C(CNCCc1ncon1)N1CCCC1
InChIInChI=1S/C10H16N4O2/c15-10(14-5-1-2-6-14)7-11-4-3-9-12-8-16-13-9/h8,11H,1-7H2
InChIKeyYMKSWGRFBIZUTL-UHFFFAOYSA-N
XLogP-0.18
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetamide
CID 114183997
methyl 2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetate
CID 106401045
N-(2-methylbutan-2-yl)-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetamide
CID 106400717
N-methyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-N-propan-2-ylacetamide
CID 106400868
2-[1-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoyl]piperidin-4-yl]acetic acid
CID 106404747
N-(4-methoxyphenyl)-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetamide
CID 106400786
2-[2-(4-chlorophenyl)ethylamino]-1-pyrrolidin-1-ylethanone
CID 60672436
ethyl 3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]propanoate
CID 106400421
2-[2-(5-chlorothiophen-2-yl)ethylamino]-1-pyrrolidin-1-ylethanone
CID 114140380
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine
CID 106395589
2-chloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propanamide
CID 106395575
2-methyl-1-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoyl]piperidine-2-carboxylic acid
CID 106404494

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-1-pyrrolidin-1-ylethanone (CID 106400784) is 2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-1-pyrrolidin-1-ylethanone is O=C(CNCCc1ncon1)N1CCCC1.
What is the InChIKey of 2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-1-pyrrolidin-1-ylethanone?
The InChIKey is YMKSWGRFBIZUTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c15-10(14-5-1-2-6-14)7-11-4-3-9-12-8-16-13-9/h8,11H,1-7H2.
What are the key properties of 2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-1-pyrrolidin-1-ylethanone?
2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-1-pyrrolidin-1-ylethanone has a molecular weight of 224.26 g/mol, XLogP of -0.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 106400784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).