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

C16H19FN2O3 — CID 135143582

IUPAC3-tert-butyl-7a-(3-fluorophenyl)-6-methyl-1,3-dihydroimidazo[1,5-c][1,3]oxazole-5,7-dione
SMILESCN1C(=O)N2C(C(C)(C)C)OCC2(c2cccc(F)c2)C1=O
InChIInChI=1S/C16H19FN2O3/c1-15(2,3)13-19-14(21)18(4)12(20)16(19,9-22-13)10-6-5-7-11(17)8-10/h5-8,13H,9H2,1-4H3
InChIKeyWAMQOOBEADKAPA-UHFFFAOYSA-N
MW306.34 g/mol
LogP2.32
Rot. Bonds1

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

3-tert-butyl-7a-(3-fluorophenyl)-6-methyl-1,3-dihydroimidazo[1,5-c][1,3]oxazole-5,7-dione (PubChem CID 135143582) has the molecular formula C16H19FN2O3 and a molecular weight of 306.34 g/mol. Its IUPAC name is 3-tert-butyl-7a-(3-fluorophenyl)-6-methyl-1,3-dihydroimidazo[1,5-c][1,3]oxazole-5,7-dione.

Molecular Properties

Compound Name3-tert-butyl-7a-(3-fluorophenyl)-6-methyl-1,3-dihydroimidazo[1,5-c][1,3]oxazole-5,7-dione
PubChem CID135143582
Molecular FormulaC16H19FN2O3
Molecular Weight306.34 g/mol
Exact Mass306.14
IUPAC Name3-tert-butyl-7a-(3-fluorophenyl)-6-methyl-1,3-dihydroimidazo[1,5-c][1,3]oxazole-5,7-dione
SMILESCN1C(=O)N2C(C(C)(C)C)OCC2(c2cccc(F)c2)C1=O
InChIInChI=1S/C16H19FN2O3/c1-15(2,3)13-19-14(21)18(4)12(20)16(19,9-22-13)10-6-5-7-11(17)8-10/h5-8,13H,9H2,1-4H3
InChIKeyWAMQOOBEADKAPA-UHFFFAOYSA-N
XLogP2.32
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 52.32
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 3-tert-butyl-7a-(3-fluorophenyl)-6-methyl-1,3-dihydroimidazo[1,5-c][1,3]oxazole-5,7-dione?
The IUPAC name of 3-tert-butyl-7a-(3-fluorophenyl)-6-methyl-1,3-dihydroimidazo[1,5-c][1,3]oxazole-5,7-dione (CID 135143582) is 3-tert-butyl-7a-(3-fluorophenyl)-6-methyl-1,3-dihydroimidazo[1,5-c][1,3]oxazole-5,7-dione.
What is the SMILES notation for 3-tert-butyl-7a-(3-fluorophenyl)-6-methyl-1,3-dihydroimidazo[1,5-c][1,3]oxazole-5,7-dione?
The canonical SMILES for 3-tert-butyl-7a-(3-fluorophenyl)-6-methyl-1,3-dihydroimidazo[1,5-c][1,3]oxazole-5,7-dione is CN1C(=O)N2C(C(C)(C)C)OCC2(c2cccc(F)c2)C1=O.
What is the InChIKey of 3-tert-butyl-7a-(3-fluorophenyl)-6-methyl-1,3-dihydroimidazo[1,5-c][1,3]oxazole-5,7-dione?
The InChIKey is WAMQOOBEADKAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O3/c1-15(2,3)13-19-14(21)18(4)12(20)16(19,9-22-13)10-6-5-7-11(17)8-10/h5-8,13H,9H2,1-4H3.
What are the key properties of 3-tert-butyl-7a-(3-fluorophenyl)-6-methyl-1,3-dihydroimidazo[1,5-c][1,3]oxazole-5,7-dione?
3-tert-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 2.32, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-7a-(3-fluorophenyl)-6-methyl-1,3-dihydroimidazo[1,5-c][1,3]oxazole-5,7-dione is sourced from PubChem (CID 135143582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).