N,N-dimethylspiro[5H-1,3-oxazole-4,9'-xanthene]-2'-carboxamide

C18H16N2O3 — CID 68577084

IUPACN,N-dimethylspiro[5H-1,3-oxazole-4,9'-xanthene]-2'-carboxamide
SMILESCN(C)C(=O)c1ccc2c(c1)C1(COC=N1)c1ccccc1O2
InChIInChI=1S/C18H16N2O3/c1-20(2)17(21)12-7-8-16-14(9-12)18(10-22-11-19-18)13-5-3-4-6-15(13)23-16/h3-9,11H,10H2,1-2H3
InChIKeyZTWCIBACCZJFCP-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.80
Rot. Bonds1

About N,N-dimethylspiro[5H-1,3-oxazole-4,9'-xanthene]-2'-carboxamide

N,N-dimethylspiro[5H-1,3-oxazole-4,9'-xanthene]-2'-carboxamide (PubChem CID 68577084) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is N,N-dimethylspiro[5H-1,3-oxazole-4,9'-xanthene]-2'-carboxamide.

Molecular Properties

Compound NameN,N-dimethylspiro[5H-1,3-oxazole-4,9'-xanthene]-2'-carboxamide
PubChem CID68577084
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC NameN,N-dimethylspiro[5H-1,3-oxazole-4,9'-xanthene]-2'-carboxamide
SMILESCN(C)C(=O)c1ccc2c(c1)C1(COC=N1)c1ccccc1O2
InChIInChI=1S/C18H16N2O3/c1-20(2)17(21)12-7-8-16-14(9-12)18(10-22-11-19-18)13-5-3-4-6-15(13)23-16/h3-9,11H,10H2,1-2H3
InChIKeyZTWCIBACCZJFCP-UHFFFAOYSA-N
XLogP2.80
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,N-dimethylspiro[5H-1,3-oxazole-4,9'-xanthene]-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,N-dimethylspiro[5H-1,3-oxazole-4,9'-xanthene]-2'-carboxamide?
The IUPAC name of N,N-dimethylspiro[5H-1,3-oxazole-4,9'-xanthene]-2'-carboxamide (CID 68577084) is N,N-dimethylspiro[5H-1,3-oxazole-4,9'-xanthene]-2'-carboxamide.
What is the SMILES notation for N,N-dimethylspiro[5H-1,3-oxazole-4,9'-xanthene]-2'-carboxamide?
The canonical SMILES for N,N-dimethylspiro[5H-1,3-oxazole-4,9'-xanthene]-2'-carboxamide is CN(C)C(=O)c1ccc2c(c1)C1(COC=N1)c1ccccc1O2.
What is the InChIKey of N,N-dimethylspiro[5H-1,3-oxazole-4,9'-xanthene]-2'-carboxamide?
The InChIKey is ZTWCIBACCZJFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-20(2)17(21)12-7-8-16-14(9-12)18(10-22-11-19-18)13-5-3-4-6-15(13)23-16/h3-9,11H,10H2,1-2H3.
What are the key properties of N,N-dimethylspiro[5H-1,3-oxazole-4,9'-xanthene]-2'-carboxamide?
N,N-dimethylspiro[5H-1,3-oxazole-4,9'-xanthene]-2'-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 2.80, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylspiro[5H-1,3-oxazole-4,9'-xanthene]-2'-carboxamide is sourced from PubChem (CID 68577084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).