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

C14H22N4O3 — CID 102742495

IUPACN-(2,2-dimethyloxan-4-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
SMILESCC1(C)CC(NC(=O)c2noc(C3CCCN3)n2)CCO1
InChIInChI=1S/C14H22N4O3/c1-14(2)8-9(5-7-20-14)16-12(19)11-17-13(21-18-11)10-4-3-6-15-10/h9-10,15H,3-8H2,1-2H3,(H,16,19)
InChIKeyARTZMHJTODBICB-UHFFFAOYSA-N
MW294.36 g/mol
LogP1.18
Rot. Bonds3

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

N-(2,2-dimethyloxan-4-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide (PubChem CID 102742495) has the molecular formula C14H22N4O3 and a molecular weight of 294.36 g/mol. Its IUPAC name is N-(2,2-dimethyloxan-4-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethyloxan-4-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
PubChem CID102742495
Molecular FormulaC14H22N4O3
Molecular Weight294.36 g/mol
Exact Mass294.17
IUPAC NameN-(2,2-dimethyloxan-4-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
SMILESCC1(C)CC(NC(=O)c2noc(C3CCCN3)n2)CCO1
InChIInChI=1S/C14H22N4O3/c1-14(2)8-9(5-7-20-14)16-12(19)11-17-13(21-18-11)10-4-3-6-15-10/h9-10,15H,3-8H2,1-2H3,(H,16,19)
InChIKeyARTZMHJTODBICB-UHFFFAOYSA-N
XLogP1.18
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(2,2-dimethyloxan-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

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyloxan-4-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of N-(2,2-dimethyloxan-4-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide (CID 102742495) is N-(2,2-dimethyloxan-4-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for N-(2,2-dimethyloxan-4-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for N-(2,2-dimethyloxan-4-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide is CC1(C)CC(NC(=O)c2noc(C3CCCN3)n2)CCO1.
What is the InChIKey of N-(2,2-dimethyloxan-4-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is ARTZMHJTODBICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-14(2)8-9(5-7-20-14)16-12(19)11-17-13(21-18-11)10-4-3-6-15-10/h9-10,15H,3-8H2,1-2H3,(H,16,19).
What are the key properties of N-(2,2-dimethyloxan-4-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
N-(2,2-dimethyloxan-4-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 294.36 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyloxan-4-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 102742495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).