4-amino-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1,2,5-oxadiazole-3-carboxamide

C10H15N5O3 — CID 62686900

IUPAC4-amino-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1,2,5-oxadiazole-3-carboxamide
SMILESCN(CC(=O)N1CCCC1)C(=O)c1nonc1N
InChIInChI=1S/C10H15N5O3/c1-14(6-7(16)15-4-2-3-5-15)10(17)8-9(11)13-18-12-8/h2-6H2,1H3,(H2,11,13)
InChIKeyBKGZTKCBGYSUIY-UHFFFAOYSA-N
MW253.26 g/mol
LogP-0.65
Rot. Bonds3

About 4-amino-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1,2,5-oxadiazole-3-carboxamide

4-amino-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1,2,5-oxadiazole-3-carboxamide (PubChem CID 62686900) has the molecular formula C10H15N5O3 and a molecular weight of 253.26 g/mol. Its IUPAC name is 4-amino-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1,2,5-oxadiazole-3-carboxamide
PubChem CID62686900
Molecular FormulaC10H15N5O3
Molecular Weight253.26 g/mol
Exact Mass253.12
IUPAC Name4-amino-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1,2,5-oxadiazole-3-carboxamide
SMILESCN(CC(=O)N1CCCC1)C(=O)c1nonc1N
InChIInChI=1S/C10H15N5O3/c1-14(6-7(16)15-4-2-3-5-15)10(17)8-9(11)13-18-12-8/h2-6H2,1H3,(H2,11,13)
InChIKeyBKGZTKCBGYSUIY-UHFFFAOYSA-N
XLogP-0.65
TPSA105.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-methyl-1,2,5-oxadiazole-3-carboxamide
CID 62687994
N,2,5-trimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-oxazole-4-carboxamide
CID 53195179
4-amino-N'-(2-oxo-2-piperidin-1-ylethoxy)-1,2,5-oxadiazole-3-carboximidamide
CID 7657873
2-(4-aminophenyl)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 60963104
5-amino-2,4-difluoro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 61108974
3-amino-2,6-difluoro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 79759555
2-amino-4-fluoro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 63110335
5-(aminomethyl)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide
CID 63723539
N-[2-(azepan-1-yl)-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 60715665
methyl 4-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-methylamino]butanoate
CID 62686347
2-amino-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)propanamide
CID 60963477
6-fluoro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
CID 63979533

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-amino-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1,2,5-oxadiazole-3-carboxamide (CID 62686900) is 4-amino-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-amino-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1,2,5-oxadiazole-3-carboxamide is CN(CC(=O)N1CCCC1)C(=O)c1nonc1N.
What is the InChIKey of 4-amino-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is BKGZTKCBGYSUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O3/c1-14(6-7(16)15-4-2-3-5-15)10(17)8-9(11)13-18-12-8/h2-6H2,1H3,(H2,11,13).
What are the key properties of 4-amino-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1,2,5-oxadiazole-3-carboxamide?
4-amino-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 253.26 g/mol, XLogP of -0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 62686900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).