N-(2,1,3-benzoxadiazol-5-yl)-5-prop-2-enoyl-5-azaspiro[2.3]hexane-2-carboxamide

C15H14N4O3 — CID 172887846

IUPACN-(2,1,3-benzoxadiazol-5-yl)-5-prop-2-enoyl-5-azaspiro[2.3]hexane-2-carboxamide
SMILESC=CC(=O)N1CC2(CC2C(=O)Nc2ccc3nonc3c2)C1
InChIInChI=1S/C15H14N4O3/c1-2-13(20)19-7-15(8-19)6-10(15)14(21)16-9-3-4-11-12(5-9)18-22-17-11/h2-5,10H,1,6-8H2,(H,16,21)
InChIKeyXWAWBZHBRWZIOC-UHFFFAOYSA-N
MW298.30 g/mol
LogP1.20
Rot. Bonds3

About N-(2,1,3-benzoxadiazol-5-yl)-5-prop-2-enoyl-5-azaspiro[2.3]hexane-2-carboxamide

N-(2,1,3-benzoxadiazol-5-yl)-5-prop-2-enoyl-5-azaspiro[2.3]hexane-2-carboxamide (PubChem CID 172887846) has the molecular formula C15H14N4O3 and a molecular weight of 298.30 g/mol. Its IUPAC name is N-(2,1,3-benzoxadiazol-5-yl)-5-prop-2-enoyl-5-azaspiro[2.3]hexane-2-carboxamide.

Molecular Properties

Compound NameN-(2,1,3-benzoxadiazol-5-yl)-5-prop-2-enoyl-5-azaspiro[2.3]hexane-2-carboxamide
PubChem CID172887846
Molecular FormulaC15H14N4O3
Molecular Weight298.30 g/mol
Exact Mass298.11
IUPAC NameN-(2,1,3-benzoxadiazol-5-yl)-5-prop-2-enoyl-5-azaspiro[2.3]hexane-2-carboxamide
SMILESC=CC(=O)N1CC2(CC2C(=O)Nc2ccc3nonc3c2)C1
InChIInChI=1S/C15H14N4O3/c1-2-13(20)19-7-15(8-19)6-10(15)14(21)16-9-3-4-11-12(5-9)18-22-17-11/h2-5,10H,1,6-8H2,(H,16,21)
InChIKeyXWAWBZHBRWZIOC-UHFFFAOYSA-N
XLogP1.20
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-(2,1,3-benzoxadiazol-5-yl)-5-prop-2-enoyl-5-azaspiro[2.3]hexane-2-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-(2,1,3-benzoxadiazol-5-yl)-5-prop-2-enoyl-5-azaspiro[2.3]hexane-2-carboxamide?
The IUPAC name of N-(2,1,3-benzoxadiazol-5-yl)-5-prop-2-enoyl-5-azaspiro[2.3]hexane-2-carboxamide (CID 172887846) is N-(2,1,3-benzoxadiazol-5-yl)-5-prop-2-enoyl-5-azaspiro[2.3]hexane-2-carboxamide.
What is the SMILES notation for N-(2,1,3-benzoxadiazol-5-yl)-5-prop-2-enoyl-5-azaspiro[2.3]hexane-2-carboxamide?
The canonical SMILES for N-(2,1,3-benzoxadiazol-5-yl)-5-prop-2-enoyl-5-azaspiro[2.3]hexane-2-carboxamide is C=CC(=O)N1CC2(CC2C(=O)Nc2ccc3nonc3c2)C1.
What is the InChIKey of N-(2,1,3-benzoxadiazol-5-yl)-5-prop-2-enoyl-5-azaspiro[2.3]hexane-2-carboxamide?
The InChIKey is XWAWBZHBRWZIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3/c1-2-13(20)19-7-15(8-19)6-10(15)14(21)16-9-3-4-11-12(5-9)18-22-17-11/h2-5,10H,1,6-8H2,(H,16,21).
What are the key properties of N-(2,1,3-benzoxadiazol-5-yl)-5-prop-2-enoyl-5-azaspiro[2.3]hexane-2-carboxamide?
N-(2,1,3-benzoxadiazol-5-yl)-5-prop-2-enoyl-5-azaspiro[2.3]hexane-2-carboxamide has a molecular weight of 298.30 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,1,3-benzoxadiazol-5-yl)-5-prop-2-enoyl-5-azaspiro[2.3]hexane-2-carboxamide is sourced from PubChem (CID 172887846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).