(7aS)-7a-(3-fluorophenyl)-6-methyl-1,3-dihydroimidazo[1,5-c][1,3]oxazole-5,7-dione

C12H11FN2O3 — CID 135143261

IUPAC(7aS)-7a-(3-fluorophenyl)-6-methyl-1,3-dihydroimidazo[1,5-c][1,3]oxazole-5,7-dione
SMILESCN1C(=O)N2COC[C@@]2(c2cccc(F)c2)C1=O
InChIInChI=1S/C12H11FN2O3/c1-14-10(16)12(6-18-7-15(12)11(14)17)8-3-2-4-9(13)5-8/h2-5H,6-7H2,1H3/t12-/m1/s1
InChIKeyHFXUYQMTEOMHGW-GFCCVEGCSA-N
MW250.23 g/mol
LogP0.90
Rot. Bonds1

About (7aS)-7a-(3-fluorophenyl)-6-methyl-1,3-dihydroimidazo[1,5-c][1,3]oxazole-5,7-dione

(7aS)-7a-(3-fluorophenyl)-6-methyl-1,3-dihydroimidazo[1,5-c][1,3]oxazole-5,7-dione (PubChem CID 135143261) has the molecular formula C12H11FN2O3 and a molecular weight of 250.23 g/mol. Its IUPAC name is (7aS)-7a-(3-fluorophenyl)-6-methyl-1,3-dihydroimidazo[1,5-c][1,3]oxazole-5,7-dione.

Molecular Properties

Compound Name(7aS)-7a-(3-fluorophenyl)-6-methyl-1,3-dihydroimidazo[1,5-c][1,3]oxazole-5,7-dione
PubChem CID135143261
Molecular FormulaC12H11FN2O3
Molecular Weight250.23 g/mol
Exact Mass250.08
IUPAC Name(7aS)-7a-(3-fluorophenyl)-6-methyl-1,3-dihydroimidazo[1,5-c][1,3]oxazole-5,7-dione
SMILESCN1C(=O)N2COC[C@@]2(c2cccc(F)c2)C1=O
InChIInChI=1S/C12H11FN2O3/c1-14-10(16)12(6-18-7-15(12)11(14)17)8-3-2-4-9(13)5-8/h2-5H,6-7H2,1H3/t12-/m1/s1
InChIKeyHFXUYQMTEOMHGW-GFCCVEGCSA-N
XLogP0.90
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.23
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (7aS)-7a-(3-fluorophenyl)-6-methyl-1,3-dihydroimidazo[1,5-c][1,3]oxazole-5,7-dione?
The IUPAC name of (7aS)-7a-(3-fluorophenyl)-6-methyl-1,3-dihydroimidazo[1,5-c][1,3]oxazole-5,7-dione (CID 135143261) is (7aS)-7a-(3-fluorophenyl)-6-methyl-1,3-dihydroimidazo[1,5-c][1,3]oxazole-5,7-dione.
What is the SMILES notation for (7aS)-7a-(3-fluorophenyl)-6-methyl-1,3-dihydroimidazo[1,5-c][1,3]oxazole-5,7-dione?
The canonical SMILES for (7aS)-7a-(3-fluorophenyl)-6-methyl-1,3-dihydroimidazo[1,5-c][1,3]oxazole-5,7-dione is CN1C(=O)N2COC[C@@]2(c2cccc(F)c2)C1=O.
What is the InChIKey of (7aS)-7a-(3-fluorophenyl)-6-methyl-1,3-dihydroimidazo[1,5-c][1,3]oxazole-5,7-dione?
The InChIKey is HFXUYQMTEOMHGW-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H11FN2O3/c1-14-10(16)12(6-18-7-15(12)11(14)17)8-3-2-4-9(13)5-8/h2-5H,6-7H2,1H3/t12-/m1/s1.
What are the key properties of (7aS)-7a-(3-fluorophenyl)-6-methyl-1,3-dihydroimidazo[1,5-c][1,3]oxazole-5,7-dione?
(7aS)-7a-(3-fluorophenyl)-6-methyl-1,3-dihydroimidazo[1,5-c][1,3]oxazole-5,7-dione has a molecular weight of 250.23 g/mol, XLogP of 0.90, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7aS)-7a-(3-fluorophenyl)-6-methyl-1,3-dihydroimidazo[1,5-c][1,3]oxazole-5,7-dione is sourced from PubChem (CID 135143261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).