(7aS)-6-(4-chlorophenyl)-3,3-dimethyl-1,7a-dihydroimidazo[1,5-c][1,3]oxazole-5,7-dione

C13H13ClN2O3 — CID 110192020

IUPAC(7aS)-6-(4-chlorophenyl)-3,3-dimethyl-1,7a-dihydroimidazo[1,5-c][1,3]oxazole-5,7-dione
SMILESCC1(C)OC[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)N21
InChIInChI=1S/C13H13ClN2O3/c1-13(2)16-10(7-19-13)11(17)15(12(16)18)9-5-3-8(14)4-6-9/h3-6,10H,7H2,1-2H3/t10-/m0/s1
InChIKeyXZBXXNLGERJXFE-JTQLQIEISA-N
MW280.71 g/mol
LogP2.24
Rot. Bonds1

About (7aS)-6-(4-chlorophenyl)-3,3-dimethyl-1,7a-dihydroimidazo[1,5-c][1,3]oxazole-5,7-dione

(7aS)-6-(4-chlorophenyl)-3,3-dimethyl-1,7a-dihydroimidazo[1,5-c][1,3]oxazole-5,7-dione (PubChem CID 110192020) has the molecular formula C13H13ClN2O3 and a molecular weight of 280.71 g/mol. Its IUPAC name is (7aS)-6-(4-chlorophenyl)-3,3-dimethyl-1,7a-dihydroimidazo[1,5-c][1,3]oxazole-5,7-dione.

Molecular Properties

Compound Name(7aS)-6-(4-chlorophenyl)-3,3-dimethyl-1,7a-dihydroimidazo[1,5-c][1,3]oxazole-5,7-dione
PubChem CID110192020
Molecular FormulaC13H13ClN2O3
Molecular Weight280.71 g/mol
Exact Mass280.06
IUPAC Name(7aS)-6-(4-chlorophenyl)-3,3-dimethyl-1,7a-dihydroimidazo[1,5-c][1,3]oxazole-5,7-dione
SMILESCC1(C)OC[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)N21
InChIInChI=1S/C13H13ClN2O3/c1-13(2)16-10(7-19-13)11(17)15(12(16)18)9-5-3-8(14)4-6-9/h3-6,10H,7H2,1-2H3/t10-/m0/s1
InChIKeyXZBXXNLGERJXFE-JTQLQIEISA-N
XLogP2.24
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.71
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (7aS)-6-(4-chlorophenyl)-3,3-dimethyl-1,7a-dihydroimidazo[1,5-c][1,3]oxazole-5,7-dione 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 (7aS)-6-(4-chlorophenyl)-3,3-dimethyl-1,7a-dihydroimidazo[1,5-c][1,3]oxazole-5,7-dione?
The IUPAC name of (7aS)-6-(4-chlorophenyl)-3,3-dimethyl-1,7a-dihydroimidazo[1,5-c][1,3]oxazole-5,7-dione (CID 110192020) is (7aS)-6-(4-chlorophenyl)-3,3-dimethyl-1,7a-dihydroimidazo[1,5-c][1,3]oxazole-5,7-dione.
What is the SMILES notation for (7aS)-6-(4-chlorophenyl)-3,3-dimethyl-1,7a-dihydroimidazo[1,5-c][1,3]oxazole-5,7-dione?
The canonical SMILES for (7aS)-6-(4-chlorophenyl)-3,3-dimethyl-1,7a-dihydroimidazo[1,5-c][1,3]oxazole-5,7-dione is CC1(C)OC[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)N21.
What is the InChIKey of (7aS)-6-(4-chlorophenyl)-3,3-dimethyl-1,7a-dihydroimidazo[1,5-c][1,3]oxazole-5,7-dione?
The InChIKey is XZBXXNLGERJXFE-JTQLQIEISA-N. The full InChI is InChI=1S/C13H13ClN2O3/c1-13(2)16-10(7-19-13)11(17)15(12(16)18)9-5-3-8(14)4-6-9/h3-6,10H,7H2,1-2H3/t10-/m0/s1.
What are the key properties of (7aS)-6-(4-chlorophenyl)-3,3-dimethyl-1,7a-dihydroimidazo[1,5-c][1,3]oxazole-5,7-dione?
(7aS)-6-(4-chlorophenyl)-3,3-dimethyl-1,7a-dihydroimidazo[1,5-c][1,3]oxazole-5,7-dione has a molecular weight of 280.71 g/mol, XLogP of 2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7aS)-6-(4-chlorophenyl)-3,3-dimethyl-1,7a-dihydroimidazo[1,5-c][1,3]oxazole-5,7-dione is sourced from PubChem (CID 110192020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).