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

C12H18N4O3 — CID 104970936

IUPACN-(oxan-4-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
SMILESO=C(NC1CCOCC1)c1noc(C2CCCN2)n1
InChIInChI=1S/C12H18N4O3/c17-11(14-8-3-6-18-7-4-8)10-15-12(19-16-10)9-2-1-5-13-9/h8-9,13H,1-7H2,(H,14,17)
InChIKeyUOWVQBNYEYGPKJ-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.40
Rot. Bonds3

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

N-(oxan-4-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide (PubChem CID 104970936) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is N-(oxan-4-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-(oxan-4-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
PubChem CID104970936
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC NameN-(oxan-4-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
SMILESO=C(NC1CCOCC1)c1noc(C2CCCN2)n1
InChIInChI=1S/C12H18N4O3/c17-11(14-8-3-6-18-7-4-8)10-15-12(19-16-10)9-2-1-5-13-9/h8-9,13H,1-7H2,(H,14,17)
InChIKeyUOWVQBNYEYGPKJ-UHFFFAOYSA-N
XLogP0.40
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopentyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970760
N-cyclopropyl-5-piperidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 102790751
N-(2,2-dimethyloxan-4-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 102742495
N-(1-methyl-6-oxopiperidin-3-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104971153
N-(2-methylcyclohexyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970787
N-propyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970775
N-(1-cyclobutylethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 102742553
N-(2-methylsulfanylcyclopentyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104971202
N-(1-cyclohexylethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970872
N-(3-methyloxolan-3-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104971411
N-(1-cyclopropylethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970833
1-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]cyclopropane-1-carboxylic acid
CID 102742347

Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of N-(oxan-4-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide (CID 104970936) is N-(oxan-4-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for N-(oxan-4-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for N-(oxan-4-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide is O=C(NC1CCOCC1)c1noc(C2CCCN2)n1.
What is the InChIKey of N-(oxan-4-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is UOWVQBNYEYGPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c17-11(14-8-3-6-18-7-4-8)10-15-12(19-16-10)9-2-1-5-13-9/h8-9,13H,1-7H2,(H,14,17).
What are the key properties of N-(oxan-4-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
N-(oxan-4-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 266.30 g/mol, XLogP of 0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 104970936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).