5-phenyl-3-propan-2-yl-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione

C14H14N2O3 — CID 11536215

IUPAC5-phenyl-3-propan-2-yl-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione
SMILESCC(C)C1=NOC2C(=O)N(c3ccccc3)C(=O)C12
InChIInChI=1S/C14H14N2O3/c1-8(2)11-10-12(19-15-11)14(18)16(13(10)17)9-6-4-3-5-7-9/h3-8,10,12H,1-2H3
InChIKeyGWTJRZRBBPSAAY-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.59
Rot. Bonds2

About 5-phenyl-3-propan-2-yl-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione

5-phenyl-3-propan-2-yl-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione (PubChem CID 11536215) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 5-phenyl-3-propan-2-yl-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione.

Molecular Properties

Compound Name5-phenyl-3-propan-2-yl-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione
PubChem CID11536215
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name5-phenyl-3-propan-2-yl-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione
SMILESCC(C)C1=NOC2C(=O)N(c3ccccc3)C(=O)C12
InChIInChI=1S/C14H14N2O3/c1-8(2)11-10-12(19-15-11)14(18)16(13(10)17)9-6-4-3-5-7-9/h3-8,10,12H,1-2H3
InChIKeyGWTJRZRBBPSAAY-UHFFFAOYSA-N
XLogP1.59
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-phenyl-3-propan-2-yl-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3aR,6aR)-3-(4-methylphenyl)-5-phenyl-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 98218781
5-phenyl-3-thiophen-2-yl-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 626864
(3aR,6aS)-3-(4-fluorophenyl)-5-phenyl-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 7707902
(3aS,6aR)-3-(4-bromophenyl)-5-(4-methylphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 27815821
(3aR,6aS)-3-acetyl-5-(4-chlorophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 7062363
(3aR,6aR)-3-acetyl-5-(4-chlorophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 7062362
(3aS,6aR)-3-acetyl-5-(4-chlorophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 6930805
(3aS,6aR)-3,5-bis(4-fluorophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 6546665
(3aR,6aR)-5-phenyl-3-(thiophene-2-carbonyl)-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 51397386
4-[(3aS,6aS)-3-(4-methylbenzoyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazol-5-yl]benzoic acid
CID 7056236
(3aR,6aS)-3-[5-methyl-2-[(R)-methylsulfinyl]thiophen-3-yl]-5-phenyl-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 11898722
methyl (3aR,6aS)-5-(4-chlorophenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-3-carboxylate
CID 938737

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3-propan-2-yl-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione?
The IUPAC name of 5-phenyl-3-propan-2-yl-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione (CID 11536215) is 5-phenyl-3-propan-2-yl-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione.
What is the SMILES notation for 5-phenyl-3-propan-2-yl-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione?
The canonical SMILES for 5-phenyl-3-propan-2-yl-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione is CC(C)C1=NOC2C(=O)N(c3ccccc3)C(=O)C12.
What is the InChIKey of 5-phenyl-3-propan-2-yl-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione?
The InChIKey is GWTJRZRBBPSAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-8(2)11-10-12(19-15-11)14(18)16(13(10)17)9-6-4-3-5-7-9/h3-8,10,12H,1-2H3.
What are the key properties of 5-phenyl-3-propan-2-yl-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione?
5-phenyl-3-propan-2-yl-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione has a molecular weight of 258.28 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-propan-2-yl-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione is sourced from PubChem (CID 11536215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).