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

C16H19FN2O3 — CID 135143260

IUPAC(3R,7aS)-3-butyl-7a-(3-fluorophenyl)-6-methyl-1,3-dihydroimidazo[1,5-c][1,3]oxazole-5,7-dione
SMILESCCCC[C@H]1OC[C@@]2(c3cccc(F)c3)C(=O)N(C)C(=O)N12
InChIInChI=1S/C16H19FN2O3/c1-3-4-8-13-19-15(21)18(2)14(20)16(19,10-22-13)11-6-5-7-12(17)9-11/h5-7,9,13H,3-4,8,10H2,1-2H3/t13-,16-/m1/s1
InChIKeyIVNFIZRRTUTCHC-CZUORRHYSA-N
MW306.34 g/mol
LogP2.46
Rot. Bonds4

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

(3R,7aS)-3-butyl-7a-(3-fluorophenyl)-6-methyl-1,3-dihydroimidazo[1,5-c][1,3]oxazole-5,7-dione (PubChem CID 135143260) has the molecular formula C16H19FN2O3 and a molecular weight of 306.34 g/mol. Its IUPAC name is (3R,7aS)-3-butyl-7a-(3-fluorophenyl)-6-methyl-1,3-dihydroimidazo[1,5-c][1,3]oxazole-5,7-dione.

Molecular Properties

Compound Name(3R,7aS)-3-butyl-7a-(3-fluorophenyl)-6-methyl-1,3-dihydroimidazo[1,5-c][1,3]oxazole-5,7-dione
PubChem CID135143260
Molecular FormulaC16H19FN2O3
Molecular Weight306.34 g/mol
Exact Mass306.14
IUPAC Name(3R,7aS)-3-butyl-7a-(3-fluorophenyl)-6-methyl-1,3-dihydroimidazo[1,5-c][1,3]oxazole-5,7-dione
SMILESCCCC[C@H]1OC[C@@]2(c3cccc(F)c3)C(=O)N(C)C(=O)N12
InChIInChI=1S/C16H19FN2O3/c1-3-4-8-13-19-15(21)18(2)14(20)16(19,10-22-13)11-6-5-7-12(17)9-11/h5-7,9,13H,3-4,8,10H2,1-2H3/t13-,16-/m1/s1
InChIKeyIVNFIZRRTUTCHC-CZUORRHYSA-N
XLogP2.46
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 52.46
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 (3R,7aS)-3-butyl-7a-(3-fluorophenyl)-6-methyl-1,3-dihydroimidazo[1,5-c][1,3]oxazole-5,7-dione?
The IUPAC name of (3R,7aS)-3-butyl-7a-(3-fluorophenyl)-6-methyl-1,3-dihydroimidazo[1,5-c][1,3]oxazole-5,7-dione (CID 135143260) is (3R,7aS)-3-butyl-7a-(3-fluorophenyl)-6-methyl-1,3-dihydroimidazo[1,5-c][1,3]oxazole-5,7-dione.
What is the SMILES notation for (3R,7aS)-3-butyl-7a-(3-fluorophenyl)-6-methyl-1,3-dihydroimidazo[1,5-c][1,3]oxazole-5,7-dione?
The canonical SMILES for (3R,7aS)-3-butyl-7a-(3-fluorophenyl)-6-methyl-1,3-dihydroimidazo[1,5-c][1,3]oxazole-5,7-dione is CCCC[C@H]1OC[C@@]2(c3cccc(F)c3)C(=O)N(C)C(=O)N12.
What is the InChIKey of (3R,7aS)-3-butyl-7a-(3-fluorophenyl)-6-methyl-1,3-dihydroimidazo[1,5-c][1,3]oxazole-5,7-dione?
The InChIKey is IVNFIZRRTUTCHC-CZUORRHYSA-N. The full InChI is InChI=1S/C16H19FN2O3/c1-3-4-8-13-19-15(21)18(2)14(20)16(19,10-22-13)11-6-5-7-12(17)9-11/h5-7,9,13H,3-4,8,10H2,1-2H3/t13-,16-/m1/s1.
What are the key properties of (3R,7aS)-3-butyl-7a-(3-fluorophenyl)-6-methyl-1,3-dihydroimidazo[1,5-c][1,3]oxazole-5,7-dione?
(3R,7aS)-3-butyl-7a-(3-fluorophenyl)-6-methyl-1,3-dihydroimidazo[1,5-c][1,3]oxazole-5,7-dione has a molecular weight of 306.34 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,7aS)-3-butyl-7a-(3-fluorophenyl)-6-methyl-1,3-dihydroimidazo[1,5-c][1,3]oxazole-5,7-dione is sourced from PubChem (CID 135143260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).