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

C16H20N2O3 — CID 135143589

IUPAC3-tert-butyl-6-methyl-7a-phenyl-1,3-dihydroimidazo[1,5-c][1,3]oxazole-5,7-dione
SMILESCN1C(=O)N2C(C(C)(C)C)OCC2(c2ccccc2)C1=O
InChIInChI=1S/C16H20N2O3/c1-15(2,3)13-18-14(20)17(4)12(19)16(18,10-21-13)11-8-6-5-7-9-11/h5-9,13H,10H2,1-4H3
InChIKeyQKWGQKRSLRRPPE-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.18
Rot. Bonds1

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

3-tert-butyl-6-methyl-7a-phenyl-1,3-dihydroimidazo[1,5-c][1,3]oxazole-5,7-dione (PubChem CID 135143589) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-tert-butyl-6-methyl-7a-phenyl-1,3-dihydroimidazo[1,5-c][1,3]oxazole-5,7-dione.

Molecular Properties

Compound Name3-tert-butyl-6-methyl-7a-phenyl-1,3-dihydroimidazo[1,5-c][1,3]oxazole-5,7-dione
PubChem CID135143589
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name3-tert-butyl-6-methyl-7a-phenyl-1,3-dihydroimidazo[1,5-c][1,3]oxazole-5,7-dione
SMILESCN1C(=O)N2C(C(C)(C)C)OCC2(c2ccccc2)C1=O
InChIInChI=1S/C16H20N2O3/c1-15(2,3)13-18-14(20)17(4)12(19)16(18,10-21-13)11-8-6-5-7-9-11/h5-9,13H,10H2,1-4H3
InChIKeyQKWGQKRSLRRPPE-UHFFFAOYSA-N
XLogP2.18
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 345679
CID 345679
CID 345691
CID 345691
CID 345699
CID 345699
CID 135143260
CID 135143260
CID 135143261
CID 135143261
CID 135143582
CID 135143582
CID 142070422
CID 142070422
CID 163662416
CID 163662416
CID 122385359
CID 122385359
CID 135055438
CID 135055438
CID 3028649
CID 3028649
CID 3028679
CID 3028679

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-6-methyl-7a-phenyl-1,3-dihydroimidazo[1,5-c][1,3]oxazole-5,7-dione?
The IUPAC name of 3-tert-butyl-6-methyl-7a-phenyl-1,3-dihydroimidazo[1,5-c][1,3]oxazole-5,7-dione (CID 135143589) is 3-tert-butyl-6-methyl-7a-phenyl-1,3-dihydroimidazo[1,5-c][1,3]oxazole-5,7-dione.
What is the SMILES notation for 3-tert-butyl-6-methyl-7a-phenyl-1,3-dihydroimidazo[1,5-c][1,3]oxazole-5,7-dione?
The canonical SMILES for 3-tert-butyl-6-methyl-7a-phenyl-1,3-dihydroimidazo[1,5-c][1,3]oxazole-5,7-dione is CN1C(=O)N2C(C(C)(C)C)OCC2(c2ccccc2)C1=O.
What is the InChIKey of 3-tert-butyl-6-methyl-7a-phenyl-1,3-dihydroimidazo[1,5-c][1,3]oxazole-5,7-dione?
The InChIKey is QKWGQKRSLRRPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-15(2,3)13-18-14(20)17(4)12(19)16(18,10-21-13)11-8-6-5-7-9-11/h5-9,13H,10H2,1-4H3.
What are the key properties of 3-tert-butyl-6-methyl-7a-phenyl-1,3-dihydroimidazo[1,5-c][1,3]oxazole-5,7-dione?
3-tert-butyl-6-methyl-7a-phenyl-1,3-dihydroimidazo[1,5-c][1,3]oxazole-5,7-dione has a molecular weight of 288.35 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-6-methyl-7a-phenyl-1,3-dihydroimidazo[1,5-c][1,3]oxazole-5,7-dione is sourced from PubChem (CID 135143589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).