N-tert-butyl-N-prop-2-enyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide

C14H22N4O2 — CID 102742471

IUPACN-tert-butyl-N-prop-2-enyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
SMILESC=CCN(C(=O)c1noc(C2CCCN2)n1)C(C)(C)C
InChIInChI=1S/C14H22N4O2/c1-5-9-18(14(2,3)4)13(19)11-16-12(20-17-11)10-7-6-8-15-10/h5,10,15H,1,6-9H2,2-4H3
InChIKeyXKRNCJNNHGTMJQ-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.92
Rot. Bonds4

About N-tert-butyl-N-prop-2-enyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide

N-tert-butyl-N-prop-2-enyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide (PubChem CID 102742471) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-tert-butyl-N-prop-2-enyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-N-prop-2-enyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
PubChem CID102742471
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN-tert-butyl-N-prop-2-enyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
SMILESC=CCN(C(=O)c1noc(C2CCCN2)n1)C(C)(C)C
InChIInChI=1S/C14H22N4O2/c1-5-9-18(14(2,3)4)13(19)11-16-12(20-17-11)10-7-6-8-15-10/h5,10,15H,1,6-9H2,2-4H3
InChIKeyXKRNCJNNHGTMJQ-UHFFFAOYSA-N
XLogP1.92
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-tert-butyl-N-prop-2-enyl-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-tert-butyl-N-prop-2-enyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of N-tert-butyl-N-prop-2-enyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide (CID 102742471) is N-tert-butyl-N-prop-2-enyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for N-tert-butyl-N-prop-2-enyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for N-tert-butyl-N-prop-2-enyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide is C=CCN(C(=O)c1noc(C2CCCN2)n1)C(C)(C)C.
What is the InChIKey of N-tert-butyl-N-prop-2-enyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is XKRNCJNNHGTMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-5-9-18(14(2,3)4)13(19)11-16-12(20-17-11)10-7-6-8-15-10/h5,10,15H,1,6-9H2,2-4H3.
What are the key properties of N-tert-butyl-N-prop-2-enyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
N-tert-butyl-N-prop-2-enyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 278.36 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-prop-2-enyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 102742471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).