4-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-1,2,5-oxadiazole-3-carboxamide

C10H17N5O2 — CID 62688692

IUPAC4-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-1,2,5-oxadiazole-3-carboxamide
SMILESCCN1CCC(CNC(=O)c2nonc2N)C1
InChIInChI=1S/C10H17N5O2/c1-2-15-4-3-7(6-15)5-12-10(16)8-9(11)14-17-13-8/h7H,2-6H2,1H3,(H2,11,14)(H,12,16)
InChIKeyUGQAGXPFYWBAED-UHFFFAOYSA-N
MW239.28 g/mol
LogP-0.28
Rot. Bonds4

About 4-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-1,2,5-oxadiazole-3-carboxamide

4-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-1,2,5-oxadiazole-3-carboxamide (PubChem CID 62688692) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is 4-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-1,2,5-oxadiazole-3-carboxamide
PubChem CID62688692
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC Name4-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-1,2,5-oxadiazole-3-carboxamide
SMILESCCN1CCC(CNC(=O)c2nonc2N)C1
InChIInChI=1S/C10H17N5O2/c1-2-15-4-3-7(6-15)5-12-10(16)8-9(11)14-17-13-8/h7H,2-6H2,1H3,(H2,11,14)(H,12,16)
InChIKeyUGQAGXPFYWBAED-UHFFFAOYSA-N
XLogP-0.28
TPSA97.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-(1-ethylpiperidin-3-yl)-1,2,5-oxadiazole-3-carboxamide
CID 62688370
3-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-1H-1,2,4-triazole-5-carboxamide
CID 62807019
3-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-1H-pyrazole-5-carboxamide
CID 64525612
4-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-1H-pyrrole-2-carboxamide
CID 54927297
bis(N-[(1-ethylpyrrolidin-3-yl)methyl]acetamide);methane
CID 162144356
N-[(1-ethylpyrrolidin-3-yl)methyl]-2H-triazole-4-carboxamide
CID 78968368
5-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]thiophene-2-carboxamide
CID 61077226
N-[(1-ethylpyrrolidin-3-yl)methyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 60856399
6-[(1-ethylpyrrolidin-3-yl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 60855368
3-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-2,6-difluorobenzamide
CID 79772808
N-[(1-ethylpyrrolidin-3-yl)methyl]-5-hydrazinylpyrazine-2-carboxamide
CID 107377516
N-[(1-ethylpyrrolidin-3-yl)methyl]-6-hydrazinylpyridazine-3-carboxamide
CID 62237446

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-1,2,5-oxadiazole-3-carboxamide (CID 62688692) is 4-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-1,2,5-oxadiazole-3-carboxamide is CCN1CCC(CNC(=O)c2nonc2N)C1.
What is the InChIKey of 4-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is UGQAGXPFYWBAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c1-2-15-4-3-7(6-15)5-12-10(16)8-9(11)14-17-13-8/h7H,2-6H2,1H3,(H2,11,14)(H,12,16).
What are the key properties of 4-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-1,2,5-oxadiazole-3-carboxamide?
4-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 239.28 g/mol, XLogP of -0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 62688692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).