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

C13H18N6O2 — CID 102742509

IUPACN-[(1,3-dimethylpyrazol-4-yl)methyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
SMILESCc1nn(C)cc1CNC(=O)c1noc(C2CCCN2)n1
InChIInChI=1S/C13H18N6O2/c1-8-9(7-19(2)17-8)6-15-12(20)11-16-13(21-18-11)10-4-3-5-14-10/h7,10,14H,3-6H2,1-2H3,(H,15,20)
InChIKeyYAAUFMMQTMTQLY-UHFFFAOYSA-N
MW290.33 g/mol
LogP0.47
Rot. Bonds4

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

N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide (PubChem CID 102742509) has the molecular formula C13H18N6O2 and a molecular weight of 290.33 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
PubChem CID102742509
Molecular FormulaC13H18N6O2
Molecular Weight290.33 g/mol
Exact Mass290.15
IUPAC NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
SMILESCc1nn(C)cc1CNC(=O)c1noc(C2CCCN2)n1
InChIInChI=1S/C13H18N6O2/c1-8-9(7-19(2)17-8)6-15-12(20)11-16-13(21-18-11)10-4-3-5-14-10/h7,10,14H,3-6H2,1-2H3,(H,15,20)
InChIKeyYAAUFMMQTMTQLY-UHFFFAOYSA-N
XLogP0.47
TPSA97.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide with MolForge

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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-[(1,5-dimethylpyrrol-2-yl)methyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 102742136
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
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
N-(3-pyrazol-1-ylpropyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970911
3-hydroxy-3-methyl-4-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]butanoic acid
CID 102742366
methyl 2-hydroxy-3-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]propanoate
CID 107222801
N-(2-pyridin-4-ylethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 102742148

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide (CID 102742509) is N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide is Cc1nn(C)cc1CNC(=O)c1noc(C2CCCN2)n1.
What is the InChIKey of N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is YAAUFMMQTMTQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O2/c1-8-9(7-19(2)17-8)6-15-12(20)11-16-13(21-18-11)10-4-3-5-14-10/h7,10,14H,3-6H2,1-2H3,(H,15,20).
What are the key properties of N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 290.33 g/mol, XLogP of 0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 102742509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).