5-(4-fluorophenyl)sulfonyl-3-phenyl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole

C17H15FN2O3S — CID 71448093

IUPAC5-(4-fluorophenyl)sulfonyl-3-phenyl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole
SMILESO=S(=O)(c1ccc(F)cc1)N1CC2ON=C(c3ccccc3)C2C1
InChIInChI=1S/C17H15FN2O3S/c18-13-6-8-14(9-7-13)24(21,22)20-10-15-16(11-20)23-19-17(15)12-4-2-1-3-5-12/h1-9,15-16H,10-11H2
InChIKeyUFTHNJIUBHFQNR-UHFFFAOYSA-N
MW346.38 g/mol
LogP2.25
Rot. Bonds3

About 5-(4-fluorophenyl)sulfonyl-3-phenyl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole

5-(4-fluorophenyl)sulfonyl-3-phenyl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole (PubChem CID 71448093) has the molecular formula C17H15FN2O3S and a molecular weight of 346.38 g/mol. Its IUPAC name is 5-(4-fluorophenyl)sulfonyl-3-phenyl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole.

Molecular Properties

Compound Name5-(4-fluorophenyl)sulfonyl-3-phenyl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole
PubChem CID71448093
Molecular FormulaC17H15FN2O3S
Molecular Weight346.38 g/mol
Exact Mass346.08
IUPAC Name5-(4-fluorophenyl)sulfonyl-3-phenyl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole
SMILESO=S(=O)(c1ccc(F)cc1)N1CC2ON=C(c3ccccc3)C2C1
InChIInChI=1S/C17H15FN2O3S/c18-13-6-8-14(9-7-13)24(21,22)20-10-15-16(11-20)23-19-17(15)12-4-2-1-3-5-12/h1-9,15-16H,10-11H2
InChIKeyUFTHNJIUBHFQNR-UHFFFAOYSA-N
XLogP2.25
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(4-fluorophenyl)sulfonyl-3-phenyl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole 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 5-(4-fluorophenyl)sulfonyl-3-phenyl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole?
The IUPAC name of 5-(4-fluorophenyl)sulfonyl-3-phenyl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole (CID 71448093) is 5-(4-fluorophenyl)sulfonyl-3-phenyl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole.
What is the SMILES notation for 5-(4-fluorophenyl)sulfonyl-3-phenyl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole?
The canonical SMILES for 5-(4-fluorophenyl)sulfonyl-3-phenyl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole is O=S(=O)(c1ccc(F)cc1)N1CC2ON=C(c3ccccc3)C2C1.
What is the InChIKey of 5-(4-fluorophenyl)sulfonyl-3-phenyl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole?
The InChIKey is UFTHNJIUBHFQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O3S/c18-13-6-8-14(9-7-13)24(21,22)20-10-15-16(11-20)23-19-17(15)12-4-2-1-3-5-12/h1-9,15-16H,10-11H2.
What are the key properties of 5-(4-fluorophenyl)sulfonyl-3-phenyl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole?
5-(4-fluorophenyl)sulfonyl-3-phenyl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole has a molecular weight of 346.38 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)sulfonyl-3-phenyl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole is sourced from PubChem (CID 71448093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).