N-(1-propan-2-ylpyrazol-4-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide

C13H18N6O2 — CID 104971105

IUPACN-(1-propan-2-ylpyrazol-4-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
SMILESCC(C)n1cc(NC(=O)c2noc(C3CCCN3)n2)cn1
InChIInChI=1S/C13H18N6O2/c1-8(2)19-7-9(6-15-19)16-12(20)11-17-13(21-18-11)10-4-3-5-14-10/h6-8,10,14H,3-5H2,1-2H3,(H,16,20)
InChIKeyIGSRXYOTMLHTLI-UHFFFAOYSA-N
MW290.33 g/mol
LogP1.52
Rot. Bonds4

About N-(1-propan-2-ylpyrazol-4-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide

N-(1-propan-2-ylpyrazol-4-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide (PubChem CID 104971105) has the molecular formula C13H18N6O2 and a molecular weight of 290.33 g/mol. Its IUPAC name is N-(1-propan-2-ylpyrazol-4-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-propan-2-ylpyrazol-4-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
PubChem CID104971105
Molecular FormulaC13H18N6O2
Molecular Weight290.33 g/mol
Exact Mass290.15
IUPAC NameN-(1-propan-2-ylpyrazol-4-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
SMILESCC(C)n1cc(NC(=O)c2noc(C3CCCN3)n2)cn1
InChIInChI=1S/C13H18N6O2/c1-8(2)19-7-9(6-15-19)16-12(20)11-17-13(21-18-11)10-4-3-5-14-10/h6-8,10,14H,3-5H2,1-2H3,(H,16,20)
InChIKeyIGSRXYOTMLHTLI-UHFFFAOYSA-N
XLogP1.52
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 ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(1-propan-2-ylpyrazol-4-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-hydroxyphenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104971402
N-(2-methylpyrazol-3-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970897
N-(4-iodophenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970742
N-(1-cyclopropylethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970833
N-(1-cyclobutylethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 102742553
N-(2-methyl-4-pyridinyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104971294
N-(4-hydroxy-3-methylphenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 102742448
N-(1-cyclohexylethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970872
(2S)-N-(1-propan-2-ylpyrazol-4-yl)pyrrolidine-2-carboxamide
CID 62902493
N-[(1S)-1-pyridin-4-ylethyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 102742442
N-(2-propan-2-yloxyethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 102742533
methyl 2-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]propanoate
CID 104970945

Frequently Asked Questions

What is the IUPAC name of N-(1-propan-2-ylpyrazol-4-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of N-(1-propan-2-ylpyrazol-4-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide (CID 104971105) is N-(1-propan-2-ylpyrazol-4-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for N-(1-propan-2-ylpyrazol-4-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for N-(1-propan-2-ylpyrazol-4-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide is CC(C)n1cc(NC(=O)c2noc(C3CCCN3)n2)cn1.
What is the InChIKey of N-(1-propan-2-ylpyrazol-4-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is IGSRXYOTMLHTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O2/c1-8(2)19-7-9(6-15-19)16-12(20)11-17-13(21-18-11)10-4-3-5-14-10/h6-8,10,14H,3-5H2,1-2H3,(H,16,20).
What are the key properties of N-(1-propan-2-ylpyrazol-4-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
N-(1-propan-2-ylpyrazol-4-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 290.33 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-propan-2-ylpyrazol-4-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 104971105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).