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

C14H19N5O2 — CID 102742136

IUPACN-[(1,5-dimethylpyrrol-2-yl)methyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
SMILESCc1ccc(CNC(=O)c2noc(C3CCCN3)n2)n1C
InChIInChI=1S/C14H19N5O2/c1-9-5-6-10(19(9)2)8-16-13(20)12-17-14(21-18-12)11-4-3-7-15-11/h5-6,11,15H,3-4,7-8H2,1-2H3,(H,16,20)
InChIKeyABKCVGAWULZCSW-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.07
Rot. Bonds4

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

N-[(1,5-dimethylpyrrol-2-yl)methyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide (PubChem CID 102742136) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrrol-2-yl)methyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrrol-2-yl)methyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
PubChem CID102742136
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC NameN-[(1,5-dimethylpyrrol-2-yl)methyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
SMILESCc1ccc(CNC(=O)c2noc(C3CCCN3)n2)n1C
InChIInChI=1S/C14H19N5O2/c1-9-5-6-10(19(9)2)8-16-13(20)12-17-14(21-18-12)11-4-3-7-15-11/h5-6,11,15H,3-4,7-8H2,1-2H3,(H,16,20)
InChIKeyABKCVGAWULZCSW-UHFFFAOYSA-N
XLogP1.07
TPSA84.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1-methylpyrazol-3-yl)methyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 102742485
N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 102742509
N-[(5-methylpyrazin-2-yl)methyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 102742280
N-propyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970775
N-(pyridazin-3-ylmethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 106895984
N-(2-methylpyrazol-3-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970897
N-(3-pyrazol-1-ylpropyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970911
N-(2-pyridin-4-ylethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 102742148
5-pyrrolidin-2-yl-N-(2,3,3-trimethylbutyl)-1,2,4-oxadiazole-3-carboxamide
CID 104971182
N-[2-(methanesulfonamido)ethyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970863
N-(2-propan-2-yloxyethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 102742533
5-pyrrolidin-2-yl-N-(2-thiophen-2-ylethyl)-1,2,4-oxadiazole-3-carboxamide
CID 104970819

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrrol-2-yl)methyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of N-[(1,5-dimethylpyrrol-2-yl)methyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide (CID 102742136) is N-[(1,5-dimethylpyrrol-2-yl)methyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for N-[(1,5-dimethylpyrrol-2-yl)methyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for N-[(1,5-dimethylpyrrol-2-yl)methyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide is Cc1ccc(CNC(=O)c2noc(C3CCCN3)n2)n1C.
What is the InChIKey of N-[(1,5-dimethylpyrrol-2-yl)methyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is ABKCVGAWULZCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-9-5-6-10(19(9)2)8-16-13(20)12-17-14(21-18-12)11-4-3-7-15-11/h5-6,11,15H,3-4,7-8H2,1-2H3,(H,16,20).
What are the key properties of N-[(1,5-dimethylpyrrol-2-yl)methyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
N-[(1,5-dimethylpyrrol-2-yl)methyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 289.34 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrrol-2-yl)methyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 102742136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).