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

C11H18N4O3S — CID 104971125

IUPACN-(3-methylsulfinylpropyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
SMILESCS(=O)CCCNC(=O)c1noc(C2CCCN2)n1
InChIInChI=1S/C11H18N4O3S/c1-19(17)7-3-6-13-10(16)9-14-11(18-15-9)8-4-2-5-12-8/h8,12H,2-7H2,1H3,(H,13,16)
InChIKeyJHJHVBOOUFRLOV-UHFFFAOYSA-N
MW286.36 g/mol
LogP-0.01
Rot. Bonds6

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

N-(3-methylsulfinylpropyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide (PubChem CID 104971125) has the molecular formula C11H18N4O3S and a molecular weight of 286.36 g/mol. Its IUPAC name is N-(3-methylsulfinylpropyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-methylsulfinylpropyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
PubChem CID104971125
Molecular FormulaC11H18N4O3S
Molecular Weight286.36 g/mol
Exact Mass286.11
IUPAC NameN-(3-methylsulfinylpropyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
SMILESCS(=O)CCCNC(=O)c1noc(C2CCCN2)n1
InChIInChI=1S/C11H18N4O3S/c1-19(17)7-3-6-13-10(16)9-14-11(18-15-9)8-4-2-5-12-8/h8,12H,2-7H2,1H3,(H,13,16)
InChIKeyJHJHVBOOUFRLOV-UHFFFAOYSA-N
XLogP-0.01
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-propyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970775
N-(3-butoxypropyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970779
N-[3-(methanesulfonamido)propyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970942
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-(2,3,3-trimethylbutyl)-1,2,4-oxadiazole-3-carboxamide
CID 104971182
N-[2-(ethylsulfamoyl)ethyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104971124
5-pyrrolidin-2-yl-N-(2-thiophen-2-ylethyl)-1,2,4-oxadiazole-3-carboxamide
CID 104970819
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
N-(2-pyridin-4-ylethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 102742148
N-cyclopentyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970760

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfinylpropyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of N-(3-methylsulfinylpropyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide (CID 104971125) is N-(3-methylsulfinylpropyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for N-(3-methylsulfinylpropyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for N-(3-methylsulfinylpropyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide is CS(=O)CCCNC(=O)c1noc(C2CCCN2)n1.
What is the InChIKey of N-(3-methylsulfinylpropyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is JHJHVBOOUFRLOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3S/c1-19(17)7-3-6-13-10(16)9-14-11(18-15-9)8-4-2-5-12-8/h8,12H,2-7H2,1H3,(H,13,16).
What are the key properties of N-(3-methylsulfinylpropyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
N-(3-methylsulfinylpropyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 286.36 g/mol, XLogP of -0.01, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfinylpropyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 104971125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).