N-methyl-5-(3-methylpyrrolidin-3-yl)-1,2,4-oxadiazole-3-carboxamide

C9H14N4O2 — CID 102790638

IUPACN-methyl-5-(3-methylpyrrolidin-3-yl)-1,2,4-oxadiazole-3-carboxamide
SMILESCNC(=O)c1noc(C2(C)CCNC2)n1
InChIInChI=1S/C9H14N4O2/c1-9(3-4-11-5-9)8-12-6(13-15-8)7(14)10-2/h11H,3-5H2,1-2H3,(H,10,14)
InChIKeyRDBMDQAEUURIAK-UHFFFAOYSA-N
MW210.24 g/mol
LogP-0.32
Rot. Bonds2

About N-methyl-5-(3-methylpyrrolidin-3-yl)-1,2,4-oxadiazole-3-carboxamide

N-methyl-5-(3-methylpyrrolidin-3-yl)-1,2,4-oxadiazole-3-carboxamide (PubChem CID 102790638) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is N-methyl-5-(3-methylpyrrolidin-3-yl)-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-5-(3-methylpyrrolidin-3-yl)-1,2,4-oxadiazole-3-carboxamide
PubChem CID102790638
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC NameN-methyl-5-(3-methylpyrrolidin-3-yl)-1,2,4-oxadiazole-3-carboxamide
SMILESCNC(=O)c1noc(C2(C)CCNC2)n1
InChIInChI=1S/C9H14N4O2/c1-9(3-4-11-5-9)8-12-6(13-15-8)7(14)10-2/h11H,3-5H2,1-2H3,(H,10,14)
InChIKeyRDBMDQAEUURIAK-UHFFFAOYSA-N
XLogP-0.32
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,2-dimethylcyclopropyl)-5-(3-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 104880788
3-(methoxymethyl)-5-(3-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 63145186
5-(3-methylpyrrolidin-3-yl)-3-(1-phenylcyclobutyl)-1,2,4-oxadiazole
CID 63145065
3-(2,3-dihydro-1H-inden-2-yl)-5-(3-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 65413913
3-(2-methylfuran-3-yl)-5-(3-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 113453228
5-(3-methylpyrrolidin-3-yl)-3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazole
CID 103594787
3-(3-methylcyclohexyl)-5-(3-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 63145192
3-[2-(2,2-difluoroethoxy)ethyl]-5-(3-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 103146225
5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole-3-carboxamide
CID 102790157
3-(3-bromophenyl)-5-(3-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 63144733
3-(2-methoxyphenyl)-5-(3-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 63145179
3-[(4-fluorophenyl)sulfanylmethyl]-5-(3-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 66071141

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(3-methylpyrrolidin-3-yl)-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of N-methyl-5-(3-methylpyrrolidin-3-yl)-1,2,4-oxadiazole-3-carboxamide (CID 102790638) is N-methyl-5-(3-methylpyrrolidin-3-yl)-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for N-methyl-5-(3-methylpyrrolidin-3-yl)-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for N-methyl-5-(3-methylpyrrolidin-3-yl)-1,2,4-oxadiazole-3-carboxamide is CNC(=O)c1noc(C2(C)CCNC2)n1.
What is the InChIKey of N-methyl-5-(3-methylpyrrolidin-3-yl)-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is RDBMDQAEUURIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-9(3-4-11-5-9)8-12-6(13-15-8)7(14)10-2/h11H,3-5H2,1-2H3,(H,10,14).
What are the key properties of N-methyl-5-(3-methylpyrrolidin-3-yl)-1,2,4-oxadiazole-3-carboxamide?
N-methyl-5-(3-methylpyrrolidin-3-yl)-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 210.24 g/mol, XLogP of -0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(3-methylpyrrolidin-3-yl)-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 102790638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).