1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N,3-dimethylpyrrolidine-3-carboxamide

C11H19N5O2 — CID 114218082

IUPAC1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(Cc2noc(CN)n2)C1
InChIInChI=1S/C11H19N5O2/c1-11(10(17)13-2)3-4-16(7-11)6-8-14-9(5-12)18-15-8/h3-7,12H2,1-2H3,(H,13,17)
InChIKeyYZEDQOPHCCGFOF-UHFFFAOYSA-N
MW253.31 g/mol
LogP-0.51
Rot. Bonds4

About 1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N,3-dimethylpyrrolidine-3-carboxamide

1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N,3-dimethylpyrrolidine-3-carboxamide (PubChem CID 114218082) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is 1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N,3-dimethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N,3-dimethylpyrrolidine-3-carboxamide
PubChem CID114218082
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC Name1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(Cc2noc(CN)n2)C1
InChIInChI=1S/C11H19N5O2/c1-11(10(17)13-2)3-4-16(7-11)6-8-14-9(5-12)18-15-8/h3-7,12H2,1-2H3,(H,13,17)
InChIKeyYZEDQOPHCCGFOF-UHFFFAOYSA-N
XLogP-0.51
TPSA97.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[3-[(3-ethyl-3-methylpyrrolidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120752310
1-[(4-amino-6-methylpyrimidin-2-yl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106321611
[3-[(2,2-dimethylmorpholin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
CID 120751207
N,3-dimethyl-1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]pyrrolidine-3-carboxamide
CID 106321575
1-[[3-(aminomethyl)-5-fluorophenyl]methyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317892
1-[(4-amino-1,3-benzoxazol-2-yl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317864
1-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106321678
3-methyl-1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-3-carboxylic acid
CID 55166735
1-[(5-chloropyrazin-2-yl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 114172807
1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-methylpyrrolidine-3-carboxylic acid
CID 55164811
1-[[4-(hydrazinecarbonyl)phenyl]methyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106322065
1-[(4-hydrazinyl-2-pyridinyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106321690

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N,3-dimethylpyrrolidine-3-carboxamide?
The IUPAC name of 1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N,3-dimethylpyrrolidine-3-carboxamide (CID 114218082) is 1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N,3-dimethylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N,3-dimethylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N,3-dimethylpyrrolidine-3-carboxamide is CNC(=O)C1(C)CCN(Cc2noc(CN)n2)C1.
What is the InChIKey of 1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N,3-dimethylpyrrolidine-3-carboxamide?
The InChIKey is YZEDQOPHCCGFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-11(10(17)13-2)3-4-16(7-11)6-8-14-9(5-12)18-15-8/h3-7,12H2,1-2H3,(H,13,17).
What are the key properties of 1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N,3-dimethylpyrrolidine-3-carboxamide?
1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N,3-dimethylpyrrolidine-3-carboxamide has a molecular weight of 253.31 g/mol, XLogP of -0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N,3-dimethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 114218082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).