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

C12H20N4O3 — CID 102742533

IUPACN-(2-propan-2-yloxyethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
SMILESCC(C)OCCNC(=O)c1noc(C2CCCN2)n1
InChIInChI=1S/C12H20N4O3/c1-8(2)18-7-6-14-11(17)10-15-12(19-16-10)9-4-3-5-13-9/h8-9,13H,3-7H2,1-2H3,(H,14,17)
InChIKeyRNZSLJMZHSDGPV-UHFFFAOYSA-N
MW268.32 g/mol
LogP0.65
Rot. Bonds6

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

N-(2-propan-2-yloxyethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide (PubChem CID 102742533) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is N-(2-propan-2-yloxyethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-propan-2-yloxyethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
PubChem CID102742533
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC NameN-(2-propan-2-yloxyethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
SMILESCC(C)OCCNC(=O)c1noc(C2CCCN2)n1
InChIInChI=1S/C12H20N4O3/c1-8(2)18-7-6-14-11(17)10-15-12(19-16-10)9-4-3-5-13-9/h8-9,13H,3-7H2,1-2H3,(H,14,17)
InChIKeyRNZSLJMZHSDGPV-UHFFFAOYSA-N
XLogP0.65
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 50.65
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
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-(1-cyclopropylethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970833
methyl 2-hydroxy-3-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]propanoate
CID 107222801
N-(3-methylsulfinylpropyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104971125
N-[3-(methanesulfonamido)propyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970942
N-(1-cyclobutylethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 102742553
N-[2-(ethylsulfamoyl)ethyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104971124
methyl 2-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]propanoate
CID 104970945
N-(1-cyclohexylethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970872

Frequently Asked Questions

What is the IUPAC name of N-(2-propan-2-yloxyethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of N-(2-propan-2-yloxyethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide (CID 102742533) is N-(2-propan-2-yloxyethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for N-(2-propan-2-yloxyethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for N-(2-propan-2-yloxyethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide is CC(C)OCCNC(=O)c1noc(C2CCCN2)n1.
What is the InChIKey of N-(2-propan-2-yloxyethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is RNZSLJMZHSDGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-8(2)18-7-6-14-11(17)10-15-12(19-16-10)9-4-3-5-13-9/h8-9,13H,3-7H2,1-2H3,(H,14,17).
What are the key properties of N-(2-propan-2-yloxyethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
N-(2-propan-2-yloxyethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 268.32 g/mol, XLogP of 0.65, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propan-2-yloxyethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 102742533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).